5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide

C30H30N4O4 — CID 154055004

About 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide

5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide (PubChem CID 154055004) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
• PubChem CID: 154055004
• Molecular Formula: C30H30N4O4
• Molecular Weight: 510.59 g/mol
• Exact Mass: 510.23
• IUPAC Name: 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
• SMILES: CCOc1ccc(C(=O)Nc2ccc(O)c(-c3cc(C4CC4)n(C(=O)NCCc4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C30H30N4O4/c1-2-38-24-13-10-22(11-14-24)29(36)32-23-12-15-28(35)25(18-23)26-19-27(21-8-9-21)34(33-26)30(37)31-17-16-20-6-4-3-5-7-20/h3-7,10-15,18-19,21,35H,2,8-9,16-17H2,1H3,(H,31,37)(H,32,36)
• InChIKey: RLGLAVJHZOOOTC-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 105.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.59
LogP ≤ 5	5.58
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-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?

The IUPAC name of 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide (CID 154055004) is 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide.

What is the SMILES notation for 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?

The canonical SMILES for 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide is CCOc1ccc(C(=O)Nc2ccc(O)c(-c3cc(C4CC4)n(C(=O)NCCc4ccccc4)n3)c2)cc1.

What is the InChIKey of 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?

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

What are the key properties of 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?

5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide has a molecular weight of 510.59 g/mol, XLogP of 5.58, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 154055004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).