5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide

C30H30N4O5 — CID 154056141

About 5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide

5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 154056141) has the molecular formula C30H30N4O5 and a molecular weight of 526.59 g/mol. Its IUPAC name is 5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
• PubChem CID: 154056141
• Molecular Formula: C30H30N4O5
• Molecular Weight: 526.59 g/mol
• Exact Mass: 526.22
• IUPAC Name: 5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
• SMILES: COc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccccc4OC)cc3O)cc2C2CCC2)cc1
• InChI: InChI=1S/C30H30N4O5/c1-38-22-13-10-19(11-14-22)18-31-30(37)34-26(20-6-5-7-20)17-25(33-34)23-15-12-21(16-27(23)35)32-29(36)24-8-3-4-9-28(24)39-2/h3-4,8-17,20,35H,5-7,18H2,1-2H3,(H,31,37)(H,32,36)
• InChIKey: JCRGDCUPZOOLFQ-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 114.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.59
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide?

The IUPAC name of 5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide (CID 154056141) is 5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide.

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

The canonical SMILES for 5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide is COc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccccc4OC)cc3O)cc2C2CCC2)cc1.

What is the InChIKey of 5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide?

The InChIKey is JCRGDCUPZOOLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O5/c1-38-22-13-10-19(11-14-22)18-31-30(37)34-26(20-6-5-7-20)17-25(33-34)23-15-12-21(16-27(23)35)32-29(36)24-8-3-4-9-28(24)39-2/h3-4,8-17,20,35H,5-7,18H2,1-2H3,(H,31,37)(H,32,36).

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

5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 526.59 g/mol, XLogP of 5.55, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154056141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).