5-Amino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxamide (CAS 1082745-50-3)

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5-Amino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxamide. CAS 1082745-50-3. 1g.

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REACH 2020/878
v1 · 02.09.2026

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Panoramica chimica: 5-amino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxamide
Formula molecolareC9H14N4O2[1]
Peso molecolare210.23 g/mol[1]
LogP (lipofilia)-0.4[1]
Nome IUPAC5-amino-1-(oxan-4-yl)pyrazole-4-carboxamide[1]
SMILESC1COCCC1N2C(=C(C=N2)C(=O)N)N[1]
InChIKeyKKKDXSBBYUMEEQ-UHFFFAOYSA-N[1]

Sinonimi: 1082745-50-3 · 5-amino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxamide · 5-amino-1-(oxan-4-yl)-1H-pyrazole-4-carboxamide · MFCD12405839 · 5-amino-1-(oxan-4-yl)pyrazole-4-carboxamide

Fonti dei dati: PubChem (NLM/NIH)
Ultimo aggiornamento: 2026-09-02

📚 Riferimenti scientifici (Chicago Author-Date) (1 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. dotyczy: Formula molecolare · Peso molecolare · LogP (lipofilia) · Nome IUPAC · SMILES · InChIKey

RICERCA SCIENTIFICA

[1]CrossRef2025
J.A. Coker, R. Sun, P.M. Polzer et al.. (2025). "Structure of SARS-CoV-2 NSP14 bound to 5-(((cyclopropylmethyl)amino)methyl)-N-((4-cyclopropylthiazol-2-yl)methyl)-1H-pyrazole-3-carboxamide". Worldwide
[2]CrossRef2025
J.K. Muckelbauer, K. Ghosh. (2025). "Crystal structure of IRAK4-HSA complexed with N-[(2R)-2-FLUORO-3-HYDROXY-3-METHYLBUTYL]-6-[(5-FLUOROPYRI-YL)AMINO]-4-[(PROPAN-2-YL)AMINO]PYRIDINE-3-CARBOXAMIDE". h
[3]CrossRef2024
S. Gajewski. (2024). "Bruton's tyrosine kinase L528W mutant in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide". https://doi.org/10.2210/pdb8gc8/pdb
[4]CrossRef2015
Nahoko Uchiyama, Kazuhiro Asakawa, Ruri Kikura-Hanajiri et al.. (2015). "A new pyrazole-carboxamide type synthetic cannabinoid AB-CHFUPYCA [N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)-3-
[5]CrossRef2014
A. Tochowicz, J.H. McKerrow, C.S. Craik. (2014). "Crystal structure analysis of cruzain with three Fragments: 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide), 6 (2-amino-4,6-difluorob
[6]Arxiv2022
Ben K. D. Pearce, Chao He, Sarah M. Hörst. (2022). "An experimental and theoretical investigation of HCN production in the Hadean Earth atmosphere". arXiv (2209.09257v1). https://doi.org/10.1021/acsea
[7]Arxiv2022
Somnath Dey, Supriya Sasmal, Saikat Mondal et al.. (2022). "Asymmetric rotations and dimerization driven by normal to modulated phase transition in 4-biphenylcarboxy coupled L-phenylalaninate". arXiv
[8]Arxiv2021
Heydar Hamzi, Ali Rajabpour, Édgar Roldán et al.. (2021). "Learning the Hydrophilic, Hydrophobic and Aromatic Character of Amino Acids from their Interfacial Thermal Conductance in Water". arXiv (2109
📚 Riferimenti scientifici (Chicago Author-Date) 12 refs · 2 baz

MOLECULE Bibliografia per-CAS (live da 13+ banche dati)

Fonti: db:crossref (5) · db:arxiv (8)

  1. db:crossref J.K. Muckelbauer, K. Ghosh. (2025). "Crystal structure of IRAK4-HSA complexed with N-[(2R)-2-FLUORO-3-HYDROXY-3-METHYLBUTYL]-6-[(5-FLUOROPYRI-YL)AMINO]-4-[(PROPAN-2-YL)AMINO]PYRIDINE-3-CARBOXAMIDE". https://doi.org/10.2210/pdb8sce/pdb
  2. db:crossref S. Gajewski. (2024). "Bruton's tyrosine kinase L528W mutant in complex with 5-(piperidin-1-yl)-3-{[4-(piperidin-4-yl)phenyl]amino}pyrazine-2-carboxamide". https://doi.org/10.2210/pdb8gc8/pdb
  3. db:arxiv Ben K. D. Pearce, Chao He, Sarah M. Hörst. (2022). "An experimental and theoretical investigation of HCN production in the Hadean Earth atmosphere". arXiv (2209.09257v1). https://doi.org/10.1021/acsearthspacechem.2c00138
  4. db:arxiv Somnath Dey, Supriya Sasmal, Saikat Mondal et al.. (2022). "Asymmetric rotations and dimerization driven by normal to modulated phase transition in 4-biphenylcarboxy coupled L-phenylalaninate". arXiv (2207.06788v2). https://doi.org/10.1107/s2052520623000215
  5. db:arxiv Heydar Hamzi, Ali Rajabpour, Édgar Roldán et al.. (2021). "Learning the Hydrophilic, Hydrophobic and Aromatic Character of Amino Acids from their Interfacial Thermal Conductance in Water". arXiv (2109.01462v1). https://doi.org/10.1021/acs.jpcb.1c07628
  6. db:arxiv Amir Jalalinejad, Hassan Bassereh, Vahid Salari et al.. (2018). "Excitation Energy Transport with Noise and Disorder in a Model of the Selectivity Filter of an Ion Channel". arXiv (1809.07838v1). https://doi.org/10.1088/1361-648x/aadeab
  7. db:crossref Nahoko Uchiyama, Kazuhiro Asakawa, Ruri Kikura-Hanajiri et al.. (2015). "A new pyrazole-carboxamide type synthetic cannabinoid AB-CHFUPYCA [N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide] identified in illegal products". Forensic Toxicology. https://doi.org/10.1007/s11419-015-0283-8
  8. db:crossref A. Tochowicz, J.H. McKerrow, C.S. Craik. (2014). "Crystal structure analysis of cruzain with three Fragments: 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide), 6 (2-amino-4,6-difluorobenzothiazole) and 9 (N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide).". Worldwide Protein Data Bank. https://doi.org/10.2210/pdb4w5c/pdb
  9. db:arxiv Celia Blanco, David Hochberg. (2011). "Chiral symmetry breaking via crystallization of the glycine and α-amino acid system: a mathematical model". arXiv (1109.6558v1). https://doi.org/10.1039/c1cp21011d
  10. db:arxiv Sebastien Forget, Sebastien Chenais, Denis Tondelier et al.. (2010). "Red-emitting fluorescent Organic Light emitting Diodes with low sensitivity to self-quenching". arXiv (1009.4557v1). https://doi.org/10.1063/1.3481460
  11. db:arxiv Liu Hong, Jinzhi Lei. (2007). "Scaling Law for Radius of Gyration and Its Dependence on Hydrophobicity". arXiv (0711.3679v1).
  12. db:arxiv F. Jiang, Y. X. Zhou, H. Chen. R. Note et al.. (2006). "First-principles study of phenyl ethylene oligomers as current-switch". arXiv (cond-mat/0601687v1). https://doi.org/10.1016/j.physleta.2006.06.070
Stato normativo della sostanza
Nessuna voce per questo CAS negli elenchi di restrizioni consultati (lista di candidati SVHC, REACH Allegato XVII; insiemi di dati incompleti - questa non è una conferma di conformità). Classificazione CLP e stato di trasporto (ADR): vedere la sezione GHS e la scheda di dati di sicurezza (SDS).
🧪 Dati chimici
Numero CAS
1082745-50-3
Formula molecolare
C9H14N4O2
Massa molare
210.23 g/mol
Nome IUPAC (EN)
5-amino-1-(oxan-4-yl)pyrazole-4-carboxamide
SMILES
C1COCCC1N2C(=C(C=N2)C(=O)N)N
InChIKey
KKKDXSBBYUMEEQ-UHFFFAOYSA-N
🔍 Identificatori esterni
6 su 16 sistemi ID38%
DatabaseIdentificatoreAzioni
CAS Registry Number1082745-50-3Apri →
PubChem CID42609131[1]Apri →
InChIKeyKKKDXSBBYUMEEQ-UHFFFAOYSA-N[1]Apri →
InChIInChI=1S/C9H14N4O2/c10-8-7(9(11)14)5-12-13(8)6-1…[1]
SMILESC1COCCC1N2C(=C(C=N2)C(=O)N)N[1]
WikiData QIDQ82569024Apri →

Fonti: PubChem (NIH), Wikidata SPARQL, KEGG, ChEMBL (EBI), CompTox CTX (EPA).

📚 Riferimenti scientifici (Chicago Author-Date) (1 sources)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. dotyczy: PubChem CID · InChIKey · InChI · SMILES

Dalsza literatura

Publications topically related to this CAS. They are not the source of any value given on this card.

Bibliografia (estesa) (5)

  1. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. 2019. "Orphan designation: 5-{(1R,2R)-2-[(cyclopropylmethyl)amino]cyclopropyl}-N-(tetrahydro-2H-pyran-4-yl)thiophene-3-carboxamide monohydrochloride, Treatment of Kabuki syndrome." Case Medical Research. https://doi.org/10.31525/cmr-babd6a. link [consultato: 2026-09-02] CC0 (metadata)
  2. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Anonymous. 2019. "Orphan designation: 5-{(1R,2R)-2-[(cyclopropylmethyl)amino]cyclopropyl}-N-(tetrahydro-2H-pyran-4-yl)thiophene-3-carboxamide monohydrochloride, Treatment of Kabuki syndrome." Case Medical Research. https://doi.org/10.31525/cmr-bb17cd. link [consultato: 2026-09-02] CC0 (metadata)
  3. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Murray, J.M.. 2018. "CREBBP bromodomain in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide).". https://doi.org/10.2210/pdb5w0e/pdb. link [consultato: 2026-09-02] CC0 (metadata)
  4. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Murray, J.M.. 2017. "BRD4-BD1 in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide)." Worldwide Protein Data Bank. https://doi.org/10.2210/pdb5vzs/pdb. link [consultato: 2026-09-02] CC0 (metadata)
  5. ★★☆☆☆ CROSSREF 🔓 OPEN ❓ non verificato Chmait, S.. 2014. "Crystal Structure of PDE10A with 1H-benzimidazol-2-yl(4-((3-(tetrahydro-2H-pyran-4-yl)-2-pyridinyl)oxy)phenyl)methanone.". https://doi.org/10.2210/pdb4phw/pdb. link [consultato: 2026-09-02] CC0 (metadata)

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5-Amino-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-carboxamide — CAS 1082745-50-3, purity 0.95, 1g. Listed by Beijing Tong Guang. Prepared from the supplier’s public catalogue; not verified against their internal data.

Dati da PubChemFonte: PubChem (NIH)