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

C28H25ClN4O3 — CID 154056033

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

3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 154056033) has the molecular formula C28H25ClN4O3 and a molecular weight of 500.99 g/mol. Its IUPAC name is 3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

• Compound Name: 3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
• PubChem CID: 154056033
• Molecular Formula: C28H25ClN4O3
• Molecular Weight: 500.99 g/mol
• Exact Mass: 500.16
• IUPAC Name: 3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
• SMILES: Cc1cccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3O)cc2C2CC2)c1
• InChI: InChI=1S/C28H25ClN4O3/c1-17-3-2-4-18(13-17)16-30-28(36)33-25(19-5-6-19)15-24(32-33)23-12-11-22(14-26(23)34)31-27(35)20-7-9-21(29)10-8-20/h2-4,7-15,19,34H,5-6,16H2,1H3,(H,30,36)(H,31,35)
• InChIKey: QFPWUDHVKLQHIW-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 96.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.99
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide (CID 154056033) is 3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide.

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

The canonical SMILES for 3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide is Cc1cccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3O)cc2C2CC2)c1.

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

The InChIKey is QFPWUDHVKLQHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN4O3/c1-17-3-2-4-18(13-17)16-30-28(36)33-25(19-5-6-19)15-24(32-33)23-12-11-22(14-26(23)34)31-27(35)20-7-9-21(29)10-8-20/h2-4,7-15,19,34H,5-6,16H2,1H3,(H,30,36)(H,31,35).

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

3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 500.99 g/mol, XLogP of 6.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154056033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).