4-methyl-1H-pyrazole-5-carboxylic acid

C5H6N2O2 — CID 5324580

IUPAC4-methyl-1H-pyrazole-5-carboxylic acid
SMILESCc1cn[nH]c1C(=O)O
InChIInChI=1S/C5H6N2O2/c1-3-2-6-7-4(3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChIKeyFNHVVMJBCILJGA-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.42
Rot. Bonds1

About 4-methyl-1H-pyrazole-5-carboxylic acid

4-methyl-1H-pyrazole-5-carboxylic acid (PubChem CID 5324580) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 4-methyl-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1H-pyrazole-5-carboxylic acid
PubChem CID5324580
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name4-methyl-1H-pyrazole-5-carboxylic acid
SMILESCc1cn[nH]c1C(=O)O
InChIInChI=1S/C5H6N2O2/c1-3-2-6-7-4(3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChIKeyFNHVVMJBCILJGA-UHFFFAOYSA-N
XLogP0.42
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1H-pyrazole-5-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-methyl-1H-pyrazole-5-carboxylic acid (CID 5324580) is 4-methyl-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-1H-pyrazole-5-carboxylic acid is Cc1cn[nH]c1C(=O)O.
What is the InChIKey of 4-methyl-1H-pyrazole-5-carboxylic acid?
The InChIKey is FNHVVMJBCILJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-2-6-7-4(3)5(8)9/h2H,1H3,(H,6,7)(H,8,9).
What are the key properties of 4-methyl-1H-pyrazole-5-carboxylic acid?
4-methyl-1H-pyrazole-5-carboxylic acid has a molecular weight of 126.11 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 5324580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).