4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

C30H22F3N3O — CID 6736125

IUPAC4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C30H22F3N3O/c31-30(32,33)26-14-8-7-13-24(26)20-34-29(37)23-15-17-25(18-16-23)36-28(22-11-5-2-6-12-22)19-27(35-36)21-9-3-1-4-10-21/h1-19H,20H2,(H,34,37)
InChIKeyAUSHMKVZBKMEIE-UHFFFAOYSA-N
MW497.52 g/mol
LogP7.16
Rot. Bonds6

About 4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide

4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 6736125) has the molecular formula C30H22F3N3O and a molecular weight of 497.52 g/mol. Its IUPAC name is 4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID6736125
Molecular FormulaC30H22F3N3O
Molecular Weight497.52 g/mol
Exact Mass497.17
IUPAC Name4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C30H22F3N3O/c31-30(32,33)26-14-8-7-13-24(26)20-34-29(37)23-15-17-25(18-16-23)36-28(22-11-5-2-6-12-22)19-27(35-36)21-9-3-1-4-10-21/h1-19H,20H2,(H,34,37)
InChIKeyAUSHMKVZBKMEIE-UHFFFAOYSA-N
XLogP7.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.52
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide 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-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide (CID 6736125) is 4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1ccccc1C(F)(F)F)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is AUSHMKVZBKMEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F3N3O/c31-30(32,33)26-14-8-7-13-24(26)20-34-29(37)23-15-17-25(18-16-23)36-28(22-11-5-2-6-12-22)19-27(35-36)21-9-3-1-4-10-21/h1-19H,20H2,(H,34,37).
What are the key properties of 4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide?
4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 497.52 g/mol, XLogP of 7.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-diphenylpyrazol-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 6736125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).