5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide

C30H30N4O4 — CID 154055131

About 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide

5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 154055131) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
• PubChem CID: 154055131
• Molecular Formula: C30H30N4O4
• Molecular Weight: 510.59 g/mol
• Exact Mass: 510.23
• IUPAC Name: 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
• SMILES: COc1ccccc1C(=O)Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3cccc(C)c3)n2)c1
• InChI: InChI=1S/C30H30N4O4/c1-19-7-5-8-20(15-19)18-31-30(37)34-26(21-9-6-10-21)17-25(33-34)24-16-22(13-14-27(24)35)32-29(36)23-11-3-4-12-28(23)38-2/h3-5,7-8,11-17,21,35H,6,9-10,18H2,1-2H3,(H,31,37)(H,32,36)
• InChIKey: DZZGPHOGTMUJAA-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 105.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.59
LogP ≤ 5	5.85
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-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide?

The IUPAC name of 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide (CID 154055131) is 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide.

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

The canonical SMILES for 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide is COc1ccccc1C(=O)Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3cccc(C)c3)n2)c1.

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

The InChIKey is DZZGPHOGTMUJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c1-19-7-5-8-20(15-19)18-31-30(37)34-26(21-9-6-10-21)17-25(33-34)24-16-22(13-14-27(24)35)32-29(36)23-11-3-4-12-28(23)38-2/h3-5,7-8,11-17,21,35H,6,9-10,18H2,1-2H3,(H,31,37)(H,32,36).

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

5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 510.59 g/mol, XLogP of 5.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154055131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).