4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride

C5H8ClN3O2 — CID 45157158

IUPAC4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride
SMILESCl.Cn1cc(N)c(C(=O)O)n1
InChIInChI=1S/C5H7N3O2.ClH/c1-8-2-3(6)4(7-8)5(9)10;/h2H,6H2,1H3,(H,9,10);1H
InChIKeyQXKPVAWGIISQML-UHFFFAOYSA-N
MW177.59 g/mol
LogP0.12
Rot. Bonds1

About 4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride

4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride (PubChem CID 45157158) has the molecular formula C5H8ClN3O2 and a molecular weight of 177.59 g/mol. Its IUPAC name is 4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride
PubChem CID45157158
Molecular FormulaC5H8ClN3O2
Molecular Weight177.59 g/mol
Exact Mass177.03
IUPAC Name4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride
SMILESCl.Cn1cc(N)c(C(=O)O)n1
InChIInChI=1S/C5H7N3O2.ClH/c1-8-2-3(6)4(7-8)5(9)10;/h2H,6H2,1H3,(H,9,10);1H
InChIKeyQXKPVAWGIISQML-UHFFFAOYSA-N
XLogP0.12
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride 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-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride?
The IUPAC name of 4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride (CID 45157158) is 4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride is Cl.Cn1cc(N)c(C(=O)O)n1.
What is the InChIKey of 4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride?
The InChIKey is QXKPVAWGIISQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.ClH/c1-8-2-3(6)4(7-8)5(9)10;/h2H,6H2,1H3,(H,9,10);1H.
What are the key properties of 4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride?
4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride has a molecular weight of 177.59 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrazole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45157158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).