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

C30H29FN4O4 — CID 154056129

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

5-cyclopentyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide (PubChem CID 154056129) has the molecular formula C30H29FN4O4 and a molecular weight of 528.58 g/mol. Its IUPAC name is 5-cyclopentyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopentyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
• PubChem CID: 154056129
• Molecular Formula: C30H29FN4O4
• Molecular Weight: 528.58 g/mol
• Exact Mass: 528.22
• IUPAC Name: 5-cyclopentyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
• SMILES: COc1ccccc1C(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1
• InChI: InChI=1S/C30H29FN4O4/c1-39-28-9-5-4-8-24(28)29(37)33-22-14-15-23(27(36)16-22)25-17-26(20-6-2-3-7-20)35(34-25)30(38)32-18-19-10-12-21(31)13-11-19/h4-5,8-17,20,36H,2-3,6-7,18H2,1H3,(H,32,38)(H,33,37)
• InChIKey: ZWSGDHMWGNJESC-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 105.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.58
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-cyclopentyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide (CID 154056129) is 5-cyclopentyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide.

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

The canonical SMILES for 5-cyclopentyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide is COc1ccccc1C(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(F)cc3)n2)c(O)c1.

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

The InChIKey is ZWSGDHMWGNJESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN4O4/c1-39-28-9-5-4-8-24(28)29(37)33-22-14-15-23(27(36)16-22)25-17-26(20-6-2-3-7-20)35(34-25)30(38)32-18-19-10-12-21(31)13-11-19/h4-5,8-17,20,36H,2-3,6-7,18H2,1H3,(H,32,38)(H,33,37).

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

5-cyclopentyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide has a molecular weight of 528.58 g/mol, XLogP of 6.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopentyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154056129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).