5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile

CAS 1082745-49-0  ·  C9H12N4O  ·  MW 192.22 g/mol

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3D model 5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile, CAS 1082745-49-0, molecular formula C9H12N4O, molar mass 192.22 g/mol
About 5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile

5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile is a chemical compound registered under number CAS 1082745-49-0, with the molecular formula C9H12N4O, and a molar mass of 192.22 g/mol.

The molecule contains 26 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is 5-amino-1-(oxan-4-yl)pyrazole-4-carbonitrile. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 0.5 (positive value, a lipophilic compound), polar surface area PSA = 76.9 Ų, 1 donors and 4 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC9H12N4O
Masa molowa192.22 g/mol
IUPAC5-amino-1-(oxan-4-yl)pyrazole-4-carbonitrile
SMILESC1COCCC1N2C(=C(C=N2)C#N)N
InChIKeyUMPNYNSSLRKJHT-UHFFFAOYSA-N
logP (XLogP3)0.5
PSA76.9 Ų
HBD / HBA1 / 4
PubChem CIDCID 42609130 ↗
Scientific literature

Related literature

15 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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1904: 1 articles19042011: 1 articles2016: 1 articles2022: 2 articles20222024: 1 articles2025: 1 articles2025

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(2011) · Musing
Cytowania: 1$ PaywallDOI ↗

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

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5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile · 1082745-49-0
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PubChem CID 42609130 ↗
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