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

C31H32N4O3 — CID 154056086

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

5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 154056086) has the molecular formula C31H32N4O3 and a molecular weight of 508.62 g/mol. Its IUPAC name is 5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
• PubChem CID: 154056086
• Molecular Formula: C31H32N4O3
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.25
• IUPAC Name: 5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
• SMILES: Cc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccccc4C)cc3O)cc2C2CCCC2)cc1
• InChI: InChI=1S/C31H32N4O3/c1-20-11-13-22(14-12-20)19-32-31(38)35-28(23-8-4-5-9-23)18-27(34-35)26-16-15-24(17-29(26)36)33-30(37)25-10-6-3-7-21(25)2/h3,6-7,10-18,23,36H,4-5,8-9,19H2,1-2H3,(H,32,38)(H,33,37)
• InChIKey: YMAGFFDHEZSUFH-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 96.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	6.54
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-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide?

The IUPAC name of 5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide (CID 154056086) is 5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide.

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

The canonical SMILES for 5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide is Cc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccccc4C)cc3O)cc2C2CCCC2)cc1.

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

The InChIKey is YMAGFFDHEZSUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O3/c1-20-11-13-22(14-12-20)19-32-31(38)35-28(23-8-4-5-9-23)18-27(34-35)26-16-15-24(17-29(26)36)33-30(37)25-10-6-3-7-21(25)2/h3,6-7,10-18,23,36H,4-5,8-9,19H2,1-2H3,(H,32,38)(H,33,37).

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

5-cyclopentyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 508.62 g/mol, XLogP of 6.54, 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-[(2-methylbenzoyl)amino]phenyl]-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154056086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).