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

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).