5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide

C24H19F3N6O3S — CID 121393757

About 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide

5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide (PubChem CID 121393757) has the molecular formula C24H19F3N6O3S and a molecular weight of 528.52 g/mol. Its IUPAC name is 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide.

Molecular Properties

• Compound Name: 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide
• PubChem CID: 121393757
• Molecular Formula: C24H19F3N6O3S
• Molecular Weight: 528.52 g/mol
• Exact Mass: 528.12
• IUPAC Name: 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide
• SMILES: Cc1c(-c2ccnn2-c2ccc(C#N)cc2)n(S(=O)(=O)NC2CC2)c(=O)n1-c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C24H19F3N6O3S/c1-15-22(21-11-12-29-32(21)19-9-5-16(14-28)6-10-19)33(37(35,36)30-18-7-8-18)23(34)31(15)20-4-2-3-17(13-20)24(25,26)27/h2-6,9-13,18,30H,7-8H2,1H3
• InChIKey: OKWZANJZZVDJTH-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 114.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.52
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide?

The IUPAC name of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide (CID 121393757) is 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide.

What is the SMILES notation for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide?

The canonical SMILES for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide is Cc1c(-c2ccnn2-c2ccc(C#N)cc2)n(S(=O)(=O)NC2CC2)c(=O)n1-c1cccc(C(F)(F)F)c1.

What is the InChIKey of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide?

The InChIKey is OKWZANJZZVDJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O3S/c1-15-22(21-11-12-29-32(21)19-9-5-16(14-28)6-10-19)33(37(35,36)30-18-7-8-18)23(34)31(15)20-4-2-3-17(13-20)24(25,26)27/h2-6,9-13,18,30H,7-8H2,1H3.

What are the key properties of 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide?

5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide has a molecular weight of 528.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-cyanophenyl)pyrazol-3-yl]-N-cyclopropyl-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]imidazole-1-sulfonamide is sourced from PubChem (CID 121393757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).