N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide

C24H27ClN4O2 — CID 55466110

About N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide

N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide (PubChem CID 55466110) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide
• PubChem CID: 55466110
• Molecular Formula: C24H27ClN4O2
• Molecular Weight: 438.96 g/mol
• Exact Mass: 438.18
• IUPAC Name: N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide
• SMILES: Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C24H27ClN4O2/c1-15(2)14-29-17(4)21(16(3)28-29)13-23(30)27-22-8-6-5-7-20(22)24(31)26-19-11-9-18(25)10-12-19/h5-12,15H,13-14H2,1-4H3,(H,26,31)(H,27,30)
• InChIKey: QUXHGGHJQOGDJO-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.96
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide?

The IUPAC name of N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide (CID 55466110) is N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide is Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1.

What is the InChIKey of N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide?

The InChIKey is QUXHGGHJQOGDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-15(2)14-29-17(4)21(16(3)28-29)13-23(30)27-22-8-6-5-7-20(22)24(31)26-19-11-9-18(25)10-12-19/h5-12,15H,13-14H2,1-4H3,(H,26,31)(H,27,30).

What are the key properties of N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide?

N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide has a molecular weight of 438.96 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide is sourced from PubChem (CID 55466110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).