2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide

C23H16N4O — CID 10570767

IUPAC2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
SMILESN#Cc1cccc(-n2nccc2C(=O)Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H16N4O/c24-16-17-5-4-8-21(15-17)27-22(13-14-25-27)23(28)26-20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-15H,(H,26,28)
InChIKeyZQERFBMRKPIXMQ-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.66
Rot. Bonds4

About 2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide

2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide (PubChem CID 10570767) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
PubChem CID10570767
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
SMILESN#Cc1cccc(-n2nccc2C(=O)Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C23H16N4O/c24-16-17-5-4-8-21(15-17)27-22(13-14-25-27)23(28)26-20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-15H,(H,26,28)
InChIKeyZQERFBMRKPIXMQ-UHFFFAOYSA-N
XLogP4.66
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(3-sulfamoylphenyl)pyrazole-3-carboxamide
CID 91424134
3-cyano-N-[(4-phenylphenyl)carbamothioyl]benzamide
CID 87470907
1-(3-cyanophenyl)-N-[4-phenyl-3-(prop-2-enylsulfonylmethyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 174409178
1-(3-cyanophenyl)-4-methoxy-3-(trifluoromethyl)-N-[4-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-5-carboxamide
CID 54248529
2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid
CID 10846907
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
3-cyano-N-(5-phenyl-3-pyridinyl)benzamide
CID 110713713
1-hydroxy-6-oxo-N-(4-phenylphenyl)pyridine-2-carboxamide
CID 102436232
1-(3-cyanophenyl)pyrazole-4-carboxylic acid
CID 43542927
N-(3-benzoyl-5-fluorophenyl)-1-(3-cyanophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 126665864
N-(4-bromophenyl)-1-(3-cyanophenyl)imidazole-2-carboxamide;ethane
CID 90729271
1-benzyl-N-(3-cyanophenyl)pyrazole-4-carboxamide
CID 26245593

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide (CID 10570767) is 2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide is N#Cc1cccc(-n2nccc2C(=O)Nc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide?
The InChIKey is ZQERFBMRKPIXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c24-16-17-5-4-8-21(15-17)27-22(13-14-25-27)23(28)26-20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-15H,(H,26,28).
What are the key properties of 2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide?
2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 10570767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).