4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid

C16H11ClN2O2 — CID 90221279

IUPAC4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nc(-c2ccccc2)c1-c1ccccc1Cl
InChIInChI=1S/C16H11ClN2O2/c17-12-9-5-4-8-11(12)13-14(10-6-2-1-3-7-10)18-19-15(13)16(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKeyQJAYJCKOCYIHQP-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.10
Rot. Bonds3

About 4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid

4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid (PubChem CID 90221279) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid
PubChem CID90221279
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nc(-c2ccccc2)c1-c1ccccc1Cl
InChIInChI=1S/C16H11ClN2O2/c17-12-9-5-4-8-11(12)13-14(10-6-2-1-3-7-10)18-19-15(13)16(20)21/h1-9H,(H,18,19)(H,20,21)
InChIKeyQJAYJCKOCYIHQP-UHFFFAOYSA-N
XLogP4.10
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-chlorophenyl)-3-phenyl-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-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid (CID 90221279) is 4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid is O=C(O)c1[nH]nc(-c2ccccc2)c1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid?
The InChIKey is QJAYJCKOCYIHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-9-5-4-8-11(12)13-14(10-6-2-1-3-7-10)18-19-15(13)16(20)21/h1-9H,(H,18,19)(H,20,21).
What are the key properties of 4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid?
4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid has a molecular weight of 298.73 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-phenyl-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 90221279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).