3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide

C16H12ClN3O — CID 752165

IUPAC3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O/c17-12-8-6-11(7-9-12)15-14(16(18)21)10-20(19-15)13-4-2-1-3-5-13/h1-10H,(H2,18,21)
InChIKeyYGTAKSQYUJCUAB-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.29
Rot. Bonds3

About 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide

3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 752165) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID752165
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O/c17-12-8-6-11(7-9-12)15-14(16(18)21)10-20(19-15)13-4-2-1-3-5-13/h1-10H,(H2,18,21)
InChIKeyYGTAKSQYUJCUAB-UHFFFAOYSA-N
XLogP3.29
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide 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 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide (CID 752165) is 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide is NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is YGTAKSQYUJCUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-12-8-6-11(7-9-12)15-14(16(18)21)10-20(19-15)13-4-2-1-3-5-13/h1-10H,(H2,18,21).
What are the key properties of 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide?
3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 752165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).