1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid

C10H8ClN3O2 — CID 125461571

IUPAC1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid
SMILESNc1ccc(-n2ccc(C(=O)O)n2)c(Cl)c1
InChIInChI=1S/C10H8ClN3O2/c11-7-5-6(12)1-2-9(7)14-4-3-8(13-14)10(15)16/h1-5H,12H2,(H,15,16)
InChIKeyHCQGCMOJGUCNJG-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.81
Rot. Bonds2

About 1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid

1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid (PubChem CID 125461571) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid
PubChem CID125461571
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid
SMILESNc1ccc(-n2ccc(C(=O)O)n2)c(Cl)c1
InChIInChI=1S/C10H8ClN3O2/c11-7-5-6(12)1-2-9(7)14-4-3-8(13-14)10(15)16/h1-5H,12H2,(H,15,16)
InChIKeyHCQGCMOJGUCNJG-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-amino-2-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 1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid (CID 125461571) is 1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid is Nc1ccc(-n2ccc(C(=O)O)n2)c(Cl)c1.
What is the InChIKey of 1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid?
The InChIKey is HCQGCMOJGUCNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-7-5-6(12)1-2-9(7)14-4-3-8(13-14)10(15)16/h1-5H,12H2,(H,15,16).
What are the key properties of 1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid?
1-(4-amino-2-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 1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 125461571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).