5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide

C31H29F3N4O3 — CID 154055973

About 5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide

5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 154055973) has the molecular formula C31H29F3N4O3 and a molecular weight of 562.59 g/mol. Its IUPAC name is 5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
• PubChem CID: 154055973
• Molecular Formula: C31H29F3N4O3
• Molecular Weight: 562.59 g/mol
• Exact Mass: 562.22
• IUPAC Name: 5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
• SMILES: Cc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3O)cc2C2CCCC2)cc1
• InChI: InChI=1S/C31H29F3N4O3/c1-19-9-11-20(12-10-19)18-35-30(41)38-27(21-5-2-3-6-21)17-26(37-38)25-14-13-24(16-28(25)39)36-29(40)22-7-4-8-23(15-22)31(32,33)34/h4,7-17,21,39H,2-3,5-6,18H2,1H3,(H,35,41)(H,36,40)
• InChIKey: UVKQZUHJGAXCIF-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 96.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.59
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide?

The IUPAC name of 5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide (CID 154055973) is 5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide.

What is the SMILES notation for 5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide?

The canonical SMILES for 5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide is Cc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3O)cc2C2CCCC2)cc1.

What is the InChIKey of 5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide?

The InChIKey is UVKQZUHJGAXCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F3N4O3/c1-19-9-11-20(12-10-19)18-35-30(41)38-27(21-5-2-3-6-21)17-26(37-38)25-14-13-24(16-28(25)39)36-29(40)22-7-4-8-23(15-22)31(32,33)34/h4,7-17,21,39H,2-3,5-6,18H2,1H3,(H,35,41)(H,36,40).

What are the key properties of 5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide?

5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 562.59 g/mol, XLogP of 7.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopentyl-3-[2-hydroxy-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154055973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).