4-methyl-1H-pyrazole

C4H6N2 — CID 3406

💊View drug profile → fomepizole
IUPAC4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1
InChIInChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
InChIKeyRIKMMFOAQPJVMX-UHFFFAOYSA-N
MW82.11 g/mol
LogP0.72
Rot. Bonds

About 4-methyl-1H-pyrazole

4-methyl-1H-pyrazole (PubChem CID 3406) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is 4-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-methyl-1H-pyrazole
PubChem CID3406
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Name4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1
InChIInChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
InChIKeyRIKMMFOAQPJVMX-UHFFFAOYSA-N
XLogP0.72
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-methyl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methylpyrazole hydrochloride
CID 11957593
4-Iodopyrazole
CID 77022
4-fluoro-1H-pyrazole
CID 141992
1H-Pyrazole-4-carbonitrile
CID 564449
3-Bromo-4-methyl-1H-pyrazole
CID 21680102
4-Ethynyl-1H-pyrazole
CID 14041597
4-(beta-Aminoethyl)pyrazole
CID 151416
4-Methyl-1H-pyrazol-3-amine
CID 12383043
1H-pyrazol-4-ylmethanamine
CID 23005583
4-(Chloromethyl)-1H-pyrazole
CID 18411593
Fomepizole sulfate
CID 10176373
4-(Trifluoromethyl)-1H-pyrazole
CID 12777795

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrazole?
The IUPAC name of 4-methyl-1H-pyrazole (CID 3406) is 4-methyl-1H-pyrazole.
What is the SMILES notation for 4-methyl-1H-pyrazole?
The canonical SMILES for 4-methyl-1H-pyrazole is Cc1cn[nH]c1.
What is the InChIKey of 4-methyl-1H-pyrazole?
The InChIKey is RIKMMFOAQPJVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6).
What are the key properties of 4-methyl-1H-pyrazole?
4-methyl-1H-pyrazole has a molecular weight of 82.11 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrazole is sourced from PubChem (CID 3406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).