5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide

C29H25Cl2FN4O3 — CID 135486131

About 5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide

5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide (PubChem CID 135486131) has the molecular formula C29H25Cl2FN4O3 and a molecular weight of 567.45 g/mol. Its IUPAC name is 5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
• PubChem CID: 135486131
• Molecular Formula: C29H25Cl2FN4O3
• Molecular Weight: 567.45 g/mol
• Exact Mass: 566.13
• IUPAC Name: 5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
• SMILES: O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1)c1c(Cl)cccc1Cl
• InChI: InChI=1S/C29H25Cl2FN4O3/c30-21-9-5-10-22(31)27(21)28(38)34-19-12-13-20(26(37)14-19)24-15-25(17-6-1-2-7-17)36(35-24)29(39)33-16-18-8-3-4-11-23(18)32/h3-5,8-15,17,37H,1-2,6-7,16H2,(H,33,39)(H,34,38)
• InChIKey: ZQSWDKZIAFEJMQ-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 96.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.45
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide?

The IUPAC name of 5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide (CID 135486131) is 5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide.

What is the SMILES notation for 5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide?

The canonical SMILES for 5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide is O=C(Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1)c1c(Cl)cccc1Cl.

What is the InChIKey of 5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide?

The InChIKey is ZQSWDKZIAFEJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25Cl2FN4O3/c30-21-9-5-10-22(31)27(21)28(38)34-19-12-13-20(26(37)14-19)24-15-25(17-6-1-2-7-17)36(35-24)29(39)33-16-18-8-3-4-11-23(18)32/h3-5,8-15,17,37H,1-2,6-7,16H2,(H,33,39)(H,34,38).

What are the key properties of 5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide?

5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 567.45 g/mol, XLogP of 7.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopentyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 135486131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).