4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide

C23H14Cl2F3N3O — CID 10412689

IUPAC4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)cc1
InChIInChI=1S/C23H14Cl2F3N3O/c24-17-9-16(10-18(25)11-17)13-1-3-14(4-2-13)20-12-21(23(26,27)28)30-31(20)19-7-5-15(6-8-19)22(29)32/h1-12H,(H2,29,32)
InChIKeyIOACOZTYILEJTD-UHFFFAOYSA-N
MW476.29 g/mol
LogP6.63
Rot. Bonds4

About 4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide

4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 10412689) has the molecular formula C23H14Cl2F3N3O and a molecular weight of 476.29 g/mol. Its IUPAC name is 4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID10412689
Molecular FormulaC23H14Cl2F3N3O
Molecular Weight476.29 g/mol
Exact Mass475.05
IUPAC Name4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)cc1
InChIInChI=1S/C23H14Cl2F3N3O/c24-17-9-16(10-18(25)11-17)13-1-3-14(4-2-13)20-12-21(23(26,27)28)30-31(20)19-7-5-15(6-8-19)22(29)32/h1-12H,(H2,29,32)
InChIKeyIOACOZTYILEJTD-UHFFFAOYSA-N
XLogP6.63
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.29
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 145967968
1-(4''-chloro-2''-(trifluoromethyl)biphenyl-3-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 49866057
5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 122194926
4-[1-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methylamino]-1-oxopropan-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 87087862
N-(3,5-dichlorophenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 44313310
3-fluoro-N-{4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}benzamide
CID 1509890
4-[3-(Trifluoromethyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-1-yl]benzamide
CID 10005146
4-[5-Anthracen-9-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 10025749
4-[5-[4-(4-Chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 10048955
4-[5-[4-(4-Tert-butylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 10050034
4-[5-[4-(3,5-Dimethylphenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 10252407
4-[5-(4-Butylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 10318028

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of 4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 10412689) is 4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide is NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)cc1.
What is the InChIKey of 4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is IOACOZTYILEJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F3N3O/c24-17-9-16(10-18(25)11-17)13-1-3-14(4-2-13)20-12-21(23(26,27)28)30-31(20)19-7-5-15(6-8-19)22(29)32/h1-12H,(H2,29,32).
What are the key properties of 4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 476.29 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 10412689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).