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

C23H15ClF3N3O — CID 10048955

IUPAC4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C23H15ClF3N3O/c24-18-9-5-15(6-10-18)14-1-3-16(4-2-14)20-13-21(23(25,26)27)29-30(20)19-11-7-17(8-12-19)22(28)31/h1-13H,(H2,28,31)
InChIKeyLQFZLIUXPKOECP-UHFFFAOYSA-N
MW441.84 g/mol
LogP5.98
Rot. Bonds4

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

4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 10048955) has the molecular formula C23H15ClF3N3O and a molecular weight of 441.84 g/mol. Its IUPAC name is 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID10048955
Molecular FormulaC23H15ClF3N3O
Molecular Weight441.84 g/mol
Exact Mass441.09
IUPAC Name4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C23H15ClF3N3O/c24-18-9-5-15(6-10-18)14-1-3-16(4-2-14)20-13-21(23(25,26)27)29-30(20)19-11-7-17(8-12-19)22(28)31/h1-13H,(H2,28,31)
InChIKeyLQFZLIUXPKOECP-UHFFFAOYSA-N
XLogP5.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.84
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[5-[4-(4-chlorophenyl)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-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 10048955) is 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide is NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is LQFZLIUXPKOECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O/c24-18-9-5-15(6-10-18)14-1-3-16(4-2-14)20-13-21(23(25,26)27)29-30(20)19-11-7-17(8-12-19)22(28)31/h1-13H,(H2,28,31).
What are the key properties of 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide?
4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 441.84 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(4-chlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 10048955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).