5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide

C32H34N4O3 — CID 154055837

About 5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide

5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 154055837) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is 5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
• PubChem CID: 154055837
• Molecular Formula: C32H34N4O3
• Molecular Weight: 522.65 g/mol
• Exact Mass: 522.26
• IUPAC Name: 5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
• SMILES: CCc1ccc(C(=O)Nc2ccc(-c3cc(C4CCCC4)n(C(=O)NCc4cccc(C)c4)n3)c(O)c2)cc1
• InChI: InChI=1S/C32H34N4O3/c1-3-22-11-13-25(14-12-22)31(38)34-26-15-16-27(30(37)18-26)28-19-29(24-9-4-5-10-24)36(35-28)32(39)33-20-23-8-6-7-21(2)17-23/h6-8,11-19,24,37H,3-5,9-10,20H2,1-2H3,(H,33,39)(H,34,38)
• InChIKey: OGLVXGKKOLRIAC-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 96.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.65
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide?

The IUPAC name of 5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide (CID 154055837) is 5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide.

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

The canonical SMILES for 5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide is CCc1ccc(C(=O)Nc2ccc(-c3cc(C4CCCC4)n(C(=O)NCc4cccc(C)c4)n3)c(O)c2)cc1.

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

The InChIKey is OGLVXGKKOLRIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-3-22-11-13-25(14-12-22)31(38)34-26-15-16-27(30(37)18-26)28-19-29(24-9-4-5-10-24)36(35-28)32(39)33-20-23-8-6-7-21(2)17-23/h6-8,11-19,24,37H,3-5,9-10,20H2,1-2H3,(H,33,39)(H,34,38).

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

5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 522.65 g/mol, XLogP of 6.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154055837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).