1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide

C22H16ClN3O — CID 52694723

IUPAC1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C22H16ClN3O/c23-18-9-6-10-19(13-18)26-15-17(14-24-26)22(27)25-21-12-5-4-11-20(21)16-7-2-1-3-8-16/h1-15H,(H,25,27)
InChIKeyOXRIDZFPHGJBNZ-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.45
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide (PubChem CID 52694723) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
PubChem CID52694723
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C22H16ClN3O/c23-18-9-6-10-19(13-18)26-15-17(14-24-26)22(27)25-21-12-5-4-11-20(21)16-7-2-1-3-8-16/h1-15H,(H,25,27)
InChIKeyOXRIDZFPHGJBNZ-UHFFFAOYSA-N
XLogP5.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
1-(3-chlorophenyl)-N-(3-methyl-4-pyridinyl)pyrazole-4-carboxamide
CID 98783333
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
1-(3-chlorophenyl)-N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 55872180
N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
CID 28742301
N-(6-bromo-3-pyridinyl)-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 99635482
1-(3-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 47299668
1-(3-chlorophenyl)-N'-(2-nitrophenyl)pyrazole-4-carbohydrazide
CID 55900121
1-(3-chlorophenyl)-N-(2-ethyl-6-methylphenyl)pyrazole-4-carboxamide
CID 60527227
N-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide
CID 11451055
3,4-dichloro-N-(2-phenylphenyl)benzamide
CID 7746275
N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 115683266

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide (CID 52694723) is 1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide is O=C(Nc1ccccc1-c1ccccc1)c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide?
The InChIKey is OXRIDZFPHGJBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c23-18-9-6-10-19(13-18)26-15-17(14-24-26)22(27)25-21-12-5-4-11-20(21)16-7-2-1-3-8-16/h1-15H,(H,25,27).
What are the key properties of 1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 52694723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).