4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide

C34H24N6O2 — CID 50905392

IUPAC4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide
SMILESCc1ccc(-n2cc(C(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C#N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C34H24N6O2/c1-23-17-19-26(20-18-23)39-22-29(31(37-39)34(42)36-25-13-7-3-8-14-25)33(41)30-28(21-35)32(24-11-5-2-6-12-24)40(38-30)27-15-9-4-10-16-27/h2-20,22H,1H3,(H,36,42)
InChIKeyIUDJORKJTWCNPV-UHFFFAOYSA-N
MW548.61 g/mol
LogP6.39
Rot. Bonds7

About 4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide

4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide (PubChem CID 50905392) has the molecular formula C34H24N6O2 and a molecular weight of 548.61 g/mol. Its IUPAC name is 4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide
PubChem CID50905392
Molecular FormulaC34H24N6O2
Molecular Weight548.61 g/mol
Exact Mass548.20
IUPAC Name4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide
SMILESCc1ccc(-n2cc(C(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C#N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C34H24N6O2/c1-23-17-19-26(20-18-23)39-22-29(31(37-39)34(42)36-25-13-7-3-8-14-25)33(41)30-28(21-35)32(24-11-5-2-6-12-24)40(38-30)27-15-9-4-10-16-27/h2-20,22H,1H3,(H,36,42)
InChIKeyIUDJORKJTWCNPV-UHFFFAOYSA-N
XLogP6.39
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.61
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-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 4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide (CID 50905392) is 4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide is Cc1ccc(-n2cc(C(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C#N)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide?
The InChIKey is IUDJORKJTWCNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N6O2/c1-23-17-19-26(20-18-23)39-22-29(31(37-39)34(42)36-25-13-7-3-8-14-25)33(41)30-28(21-35)32(24-11-5-2-6-12-24)40(38-30)27-15-9-4-10-16-27/h2-20,22H,1H3,(H,36,42).
What are the key properties of 4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide?
4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide has a molecular weight of 548.61 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-1,5-diphenylpyrazole-3-carbonyl)-1-(4-methylphenyl)-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 50905392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).