4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide

C24H13ClF7N3O — CID 59633061

About 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 59633061) has the molecular formula C24H13ClF7N3O and a molecular weight of 527.83 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 59633061
• Molecular Formula: C24H13ClF7N3O
• Molecular Weight: 527.83 g/mol
• Exact Mass: 527.06
• IUPAC Name: 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide
• SMILES: O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
• InChI: InChI=1S/C24H13ClF7N3O/c25-17-3-1-2-4-19(17)35-20(12-21(34-35)24(30,31)32)13-5-7-14(8-6-13)22(36)33-18-10-9-15(26)11-16(18)23(27,28)29/h1-12H,(H,33,36)
• InChIKey: ZGZROTKOZQNEDA-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.83
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide (CID 59633061) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(F)cc1C(F)(F)F)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.

What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide?

The InChIKey is ZGZROTKOZQNEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClF7N3O/c25-17-3-1-2-4-19(17)35-20(12-21(34-35)24(30,31)32)13-5-7-14(8-6-13)22(36)33-18-10-9-15(26)11-16(18)23(27,28)29/h1-12H,(H,33,36).

What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide?

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 527.83 g/mol, XLogP of 7.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 59633061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).