4-Methylpyrazole (CAS 7554-65-6)

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4-Methylpyrazole. CAS 7554-65-6. 1g.

⚠️ Note: This safety data sheet is provided in English; a localized version is being prepared.

Free, and generated automatically from the sources listed on this page. No person has reviewed it, and it describes the substance in general — not your material, your process or your intended market.

REACH 2020/878
v1 · 02.09.2026

Section 9 — physicochemical properties: 4 of 22 established.

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化学概述: 4-Methylpyrazole
分子式C4H6N2[1]
分子量82.1 g/mol[1]
LogP(亲脂性)1.4[1]
IUPAC名称4-methyl-1H-pyrazole[1]
SMILESCC1=CNN=C1[1]
InChIKeyRIKMMFOAQPJVMX-UHFFFAOYSA-N[1]

同义词: 4-Methylpyrazole · fomepizole · 7554-65-6 · 1H-Pyrazole, 4-methyl- · Fomepizol

数据来源: PubChem (NLM/NIH)
最后更新: 2026-09-02

📚 科学参考文献(芝加哥作者-日期格式) (1 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. applies to: 分子式 · 分子量 · LogP(亲脂性) · IUPAC名称 · SMILES · InChIKey

科学研究

[1]PubMed2025
D'Aloia M, Smith D, Boley R et al.. (2025). "Trends in Fomepizole Use for Acetaminophen Poisoning in the United States; 2013-2024.". Journal of medical toxicology : official journal of the American Co
[2]Europe PMC2024
et al.. (2024). "Quantum computational, spectroscopic investigations on fomepizole (4-Methyl-1H-Pyrazole) by DFT/TD-DFT with different solvents and molecular docking studies". https://doi.org/10.22541
[3]PubMed2022
Akakpo JY, Ramachandran A, Curry SC et al.. (2022). "Comparing N-acetylcysteine and 4-methylpyrazole as antidotes for acetaminophen overdose.". Archives of toxicology. https://doi.org/10.1007/s00204-0
[4]Europe PMC2016
et al.. (2016). "Synthesis and molecular docking of N'-arylidene-5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carbohydrazides as novel hypoglycemic and antioxidant dual agents.". h
[5]Doaj2011
Sergey Malinkin, Irina A. Golenya, Vadim A. Pavlenko et al.. (2011). "cyclo-Tetrakis(μ-3-acetyl-4-methyl-1H-pyrazole-5-carboxylato-κ4N2,O3:N1,O5)tetrakis[aquacopper(II)] tetradecahydrate". A
[6]Europe PMC2011
et al.. (2011). "cyclo-Tetra-kis(μ-3-acetyl-4-methyl-1H-pyrazole-5-carboxyl-ato-κN,O:N,O)tetra-kis[aqua-copper(II)] tetra-deca-hydrate.". https://doi.org/10.1107/s1600536811030832
[7]Europe PMC2008
et al.. (2008). "Facile synthesis, ex-vivo and in vitro screening of 3-sulfonamide derivative of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide (S
[8]Europe PMC2008
et al.. (2008). "Conformationally constrained analogues of N-(piperidinyl)-5-(4-chlorophenyl)-1-(2,4- dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide (SR141716): design, synthesis, computational an
📚 科学参考文献(芝加哥作者-日期格式) 12 refs · 3 baz

MOLECULE 按CAS号参考文献(实时来自13+数据库)

来源: db:pubmed (2) · db:Europe PMC (9) · db:doaj (1)

  1. db:pubmed D'Aloia M, Smith D, Boley R et al.. (2025). "Trends in Fomepizole Use for Acetaminophen Poisoning in the United States; 2013-2024.". Journal of medical toxicology : official journal of the American College of Medical Toxicology. https://doi.org/10.1007/s13181-025-01091-8
  2. db:Europe PMC et al.. (2024). "Quantum computational, spectroscopic investigations on fomepizole (4-Methyl-1H-Pyrazole) by DFT/TD-DFT with different solvents and molecular docking studies". https://doi.org/10.22541/au.170666101.17534750/v1
  3. db:pubmed Akakpo JY, Ramachandran A, Curry SC et al.. (2022). "Comparing N-acetylcysteine and 4-methylpyrazole as antidotes for acetaminophen overdose.". Archives of toxicology. https://doi.org/10.1007/s00204-021-03211-z
  4. db:Europe PMC et al.. (2016). "Synthesis and molecular docking of N'-arylidene-5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carbohydrazides as novel hypoglycemic and antioxidant dual agents.". https://doi.org/10.1016/j.bmc.2016.04.007
  5. db:doaj Sergey Malinkin, Irina A. Golenya, Vadim A. Pavlenko et al.. (2011). "cyclo-Tetrakis(μ-3-acetyl-4-methyl-1H-pyrazole-5-carboxylato-κ4N2,O3:N1,O5)tetrakis[aquacopper(II)] tetradecahydrate". Acta Crystallographica Section E. https://doi.org/10.1107/S1600536811030832
  6. db:Europe PMC et al.. (2008). "Facile synthesis, ex-vivo and in vitro screening of 3-sulfonamide derivative of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide (SR141716) a potent CB1 receptor antagonist.". https://doi.org/10.1016/j.bmcl.2008.06.045
  7. db:Europe PMC et al.. (2008). "Conformationally constrained analogues of N-(piperidinyl)-5-(4-chlorophenyl)-1-(2,4- dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide (SR141716): design, synthesis, computational analysis, and biological evaluations.". https://doi.org/10.1021/jm8000778
  8. db:Europe PMC (2008). "5-(4-Chloro-phen-yl)-1-(2,4-dichloro-phen-yl)-4-methyl-1H-pyrazole-3-carboxylic acid.". https://doi.org/10.1107/s1600536808038105
  9. db:Europe PMC et al.. (2005). "Synthesis of long-chain amide analogs of the cannabinoid CB1 receptor antagonist N-(piperidinyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide (SR141716) with unique binding selectivities and pharmacological activities.". https://doi.org/10.1016/j.bmc.2005.06.005
  10. db:Europe PMC et al.. (2004). "Synthesis of [O-methyl-11C]1-(2-chlorophenyl)-5-(4-methoxyphenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide: a potential PET ligand for CB1 receptors.". https://doi.org/10.1016/j.bmcl.2004.03.034
  11. db:Europe PMC et al.. (2002). "Synthesis and structure-activity relationships of amide and hydrazide analogues of the cannabinoid CB(1) receptor antagonist N-(piperidinyl)- 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide (SR141716).". https://doi.org/10.1021/jm010498v
  12. db:Europe PMC et al.. (2002). "Molecular interaction of the antagonist N-(piperidin-1-yl)-5-(4-chlorophenyl)-1- (2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide with the CB1 cannabinoid receptor.". https://doi.org/10.1021/jm010267o
物质监管状态
在已检查的限制清单(SVHC候选清单、REACH附件XVII;数据集不完整——这不构成合规确认)中未找到该CAS号的条目。CLP分类和运输状态(ADR):请参见GHS章节及安全数据表(SDS)。
🧪 化学数据
CAS号
7554-65-6
分子式
C4H6N2
摩尔质量
82.10 g/mol
IUPAC名称 (EN)
4-methyl-1H-pyrazole
SMILES
CC1=CNN=C1
InChIKey
RIKMMFOAQPJVMX-UHFFFAOYSA-N
🔍 外部标识符
15 / 16个ID系统94%
数据库标识符操作
CAS Registry Number7554-65-6打开 →
PubChem CID3406[1]打开 →
InChIKeyRIKMMFOAQPJVMX-UHFFFAOYSA-N[1]打开 →
InChIInChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)[1]
SMILESCC1=CNN=C1[1]
EC Number231-445-0[2]打开 →
ChEMBLCHEMBL1308[3]打开 →
DrugBankDB01213打开 →
KEGG CompoundC07837打开 →
HMDBHMDB0015344打开 →
ChemSpider3289[4]打开 →
MeSH UID (NLM)D000077604打开 →
UNII (FDA)83LCM6L2BY打开 →
NSC Number (NCI)760365打开 →
WikiData QIDQ416410打开 →

来源:PubChem (NIH)、Wikidata SPARQL、KEGG、ChEMBL (EBI)、CompTox CTX (EPA)。

📚 科学参考文献(芝加哥作者-日期格式) (4 来源)
  1. PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. applies to: PubChem CID · InChIKey · InChI · SMILES
  2. ECHA. EC Inventory — EINECS, ELINCS, NLP and List Numbers assigned under REACH. Helsinki: European Chemicals Agency. applies to: EC Number
  3. ChEMBL. European Bioinformatics Institute (EMBL-EBI), bioactivity database. applies to: ChEMBL
  4. ChemSpider. Royal Society of Chemistry, chemical structure database. applies to: ChemSpider

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4-Methylpyrazole — CAS 7554-65-6, purity 0.98, 1g. Listed by Beijing Tong Guang. Prepared from the supplier’s public catalogue; not verified against their internal data.

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