5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide

C23H17ClN4O — CID 3042086

IUPAC5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C23H17ClN4O/c24-19-10-8-18(9-11-19)22-21(17-4-2-1-3-5-17)15-28(27-22)23(29)26-20-12-6-16(14-25)7-13-20/h1-13,21H,15H2,(H,26,29)
InChIKeyWTTQJVJMOASHOB-UHFFFAOYSA-N
MW400.87 g/mol
LogP5.25
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 3042086) has the molecular formula C23H17ClN4O and a molecular weight of 400.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID3042086
Molecular FormulaC23H17ClN4O
Molecular Weight400.87 g/mol
Exact Mass400.11
IUPAC Name5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C23H17ClN4O/c24-19-10-8-18(9-11-19)22-21(17-4-2-1-3-5-17)15-28(27-22)23(29)26-20-12-6-16(14-25)7-13-20/h1-13,21H,15H2,(H,26,29)
InChIKeyWTTQJVJMOASHOB-UHFFFAOYSA-N
XLogP5.25
TPSA68.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-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 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 3042086) is 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide is N#Cc1ccc(NC(=O)N2CC(c3ccccc3)C(c3ccc(Cl)cc3)=N2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is WTTQJVJMOASHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O/c24-19-10-8-18(9-11-19)22-21(17-4-2-1-3-5-17)15-28(27-22)23(29)26-20-12-6-16(14-25)7-13-20/h1-13,21H,15H2,(H,26,29).
What are the key properties of 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide?
5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 3042086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).