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

C29H31N5O3 — CID 154054244

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

5-cyclopentyl-3-[2-hydroxy-5-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 154054244) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 5-cyclopentyl-3-[2-hydroxy-5-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopentyl-3-[2-hydroxy-5-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
• PubChem CID: 154054244
• Molecular Formula: C29H31N5O3
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.24
• IUPAC Name: 5-cyclopentyl-3-[2-hydroxy-5-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide
• SMILES: Cc1ccccc1CNC(=O)n1nc(-c2cc(NC(=O)c3cccn3C)ccc2O)cc1C1CCCC1
• InChI: InChI=1S/C29H31N5O3/c1-19-8-3-4-11-21(19)18-30-29(37)34-26(20-9-5-6-10-20)17-24(32-34)23-16-22(13-14-27(23)35)31-28(36)25-12-7-15-33(25)2/h3-4,7-8,11-17,20,35H,5-6,9-10,18H2,1-2H3,(H,30,37)(H,31,36)
• InChIKey: NDGYGKGNGMUGKG-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 101.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-cyclopentyl-3-[2-hydroxy-5-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide (CID 154054244) is 5-cyclopentyl-3-[2-hydroxy-5-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide.

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

The canonical SMILES for 5-cyclopentyl-3-[2-hydroxy-5-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide is Cc1ccccc1CNC(=O)n1nc(-c2cc(NC(=O)c3cccn3C)ccc2O)cc1C1CCCC1.

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

The InChIKey is NDGYGKGNGMUGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-19-8-3-4-11-21(19)18-30-29(37)34-26(20-9-5-6-10-20)17-24(32-34)23-16-22(13-14-27(23)35)31-28(36)25-12-7-15-33(25)2/h3-4,7-8,11-17,20,35H,5-6,9-10,18H2,1-2H3,(H,30,37)(H,31,36).

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

5-cyclopentyl-3-[2-hydroxy-5-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 5.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopentyl-3-[2-hydroxy-5-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-[(2-methylphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154054244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).