4-Methylpyrazole

CAS 7554-65-6 · C₄H₆N₂ · MW 82.10 g/mol

Full record: 4-Methylpyrazole — Safety Data Sheet →

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4-Methylpyrazole (CAS 7554-65-6), C4H6N2 - 3D ball-and-stick molecular model, engraved element symbols (C H N), MolGod STL preview

MG_189-393-513-66 · engraved · 143,516 △ · 7 MB · SHA-256 4d7d36b77ffc31bd

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4-Methylpyrazole (CAS 7554-65-6), C4H6N2 - 3D ball-and-stick molecular model, MolGod STL preview

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About 4-Methylpyrazole

4-Methylpyrazole is a chemical compound registered under number CAS 7554-65-6, with the molecular formula C₄H₆N₂, and a molar mass of 82.10 g/mol.

The molecule contains 12 atoms connected by 12 chemical bonds. The full systematic IUPAC name of this compound is 4-methyl-1H-pyrazole. 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 = 1.4 (positive value, a lipophilic compound), polar surface area PSA = 28.7 Å², 1 donors and 1 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₄H₆N₂
Molar mass	82.10 g/mol
IUPAC	4-methyl-1H-pyrazole
SMILES	`CC1=CNN=C1`
InChIKey	`RIKMMFOAQPJVMX-UHFFFAOYSA-N`
logP (XLogP3)	1.4
PSA	28.7 Å²
HBD / HBA	1 / 1
PubChem CID	CID 3406 ↗

GHS safety

Signal word: Danger

GHS05

GHS05

GHS07

GHS07

H302 — Harmful if swallowed

H312 — Harmful in contact with skin

H314 — Causes severe skin burns and eye damage

H315 — Causes skin irritation

H318 — Causes serious eye damage

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Related literature

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

📈 Publication timeline (number of articles: 2)

Bar height = number of articles in a given year. Hover over a bar to see details.

🔓

Quantum computational, spectroscopic investigations on fomepizole (4-Methyl-1H-Pyrazole) by DFT/TD-DFT with different solvents and molecular docking studies

et al. (2024)

Open AccessDOI ↗PDF ↗

🔓

Comparing N-acetylcysteine and 4-methylpyrazole as antidotes for acetaminophen overdose.

Akakpo JY, Ramachandran A, Curry SC et al. (2022) · Archives of toxicology

ReviewOpen AccessDOI ↗PubMed ↗PDF ↗

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms

4-Methylpyrazole · fomepizole · 7554-65-6 · 1H-Pyrazole, 4-methyl- · Fomepizol · 4-Methylpyrazol · Fomepizolum · CHEBI:5141 · 83LCM6L2BY · NSC-760365 · 4 Methylpyrazole · 4 Methylpyrazole Monohydrochloride · RefChem:58530 · DTXCID1020649 · V03AB34

Data sources

📊 PubChem CID 3406 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

3,5-Dimethylphenol CAS 108-68-9 · C8H10O Shared hazard H314 Thymol CAS 89-83-8 · C10H14O Shared hazard H314 3-Fluoro-6-methylpyridine-2-carboxylic acid CAS 1256806-43-5 · C7H6FNO2 Shared hazard H312 Isophorone CAS 78-59-1 · C9H14O Shared hazard H312

📜 License & provenanceMolGod_License_1

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Model: 4-Methylpyrazole · 7554-65-6
InChIKey: RIKMMFOAQPJVMX-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — 4-Methylpyrazole (CAS 7554-65-6)
License & provenance record: 4-Methylpyrazole (CAS 7554-65-6) →
MolGod molecule record: 4-Methylpyrazole →
Source data: PubChem CID 3406 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 0a4bb9d97f6ccbfb4788b62c39aba8a38b30582bb13723e492b04bd2a4a8f1e5
MD5 (STL): 3142c1e968642b4149b5949030b5dd1f
MolGod Identification Number: MG_189-393-513-66
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: not published yet

📄 Download 3D model: 4-Methylpyrazole, C₄H₆N₂, CAS 7554-65-6 · NORMAL · 253 KB 📄 Download 3D model: 4-Methylpyrazole, C₄H₆N₂, CAS 7554-65-6 · ENGRAVED (C, H, N) · 7 MB

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