5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid

C10H8ClN3O2 — CID 82116964

IUPAC5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
SMILESNc1cc(C(=O)O)nn1-c1cccc(Cl)c1
InChIInChI=1S/C10H8ClN3O2/c11-6-2-1-3-7(4-6)14-9(12)5-8(13-14)10(15)16/h1-5H,12H2,(H,15,16)
InChIKeyJOKKMKYETZYKFC-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.81
Rot. Bonds2

About 5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid

5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid (PubChem CID 82116964) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
PubChem CID82116964
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid
SMILESNc1cc(C(=O)O)nn1-c1cccc(Cl)c1
InChIInChI=1S/C10H8ClN3O2/c11-6-2-1-3-7(4-6)14-9(12)5-8(13-14)10(15)16/h1-5H,12H2,(H,15,16)
InChIKeyJOKKMKYETZYKFC-UHFFFAOYSA-N
XLogP1.81
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-(3-chlorophenyl)pyrazole-3-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 5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid (CID 82116964) is 5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid is Nc1cc(C(=O)O)nn1-c1cccc(Cl)c1.
What is the InChIKey of 5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid?
The InChIKey is JOKKMKYETZYKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-6-2-1-3-7(4-6)14-9(12)5-8(13-14)10(15)16/h1-5H,12H2,(H,15,16).
What are the key properties of 5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid?
5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid has a molecular weight of 237.65 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-chlorophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 82116964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).