N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide

C30H40N4O2 — CID 5140232

About N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide

N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide (PubChem CID 5140232) has the molecular formula C30H40N4O2 and a molecular weight of 488.68 g/mol. Its IUPAC name is N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide.

Molecular Properties

• Compound Name: N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide
• PubChem CID: 5140232
• Molecular Formula: C30H40N4O2
• Molecular Weight: 488.68 g/mol
• Exact Mass: 488.32
• IUPAC Name: N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide
• SMILES: CCCCCc1ccc(C(=O)N(CC)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)cc1
• InChI: InChI=1S/C30H40N4O2/c1-7-9-10-14-23-16-18-24(19-17-23)29(36)33(8-2)21-28(35)31-27-20-26(30(4,5)6)32-34(27)25-15-12-11-13-22(25)3/h11-13,15-20H,7-10,14,21H2,1-6H3,(H,31,35)
• InChIKey: JKPZZBHGIMBMHL-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.68
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide?

The IUPAC name of N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide (CID 5140232) is N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide.

What is the SMILES notation for N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide?

The canonical SMILES for N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide is CCCCCc1ccc(C(=O)N(CC)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)cc1.

What is the InChIKey of N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide?

The InChIKey is JKPZZBHGIMBMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O2/c1-7-9-10-14-23-16-18-24(19-17-23)29(36)33(8-2)21-28(35)31-27-20-26(30(4,5)6)32-34(27)25-15-12-11-13-22(25)3/h11-13,15-20H,7-10,14,21H2,1-6H3,(H,31,35).

What are the key properties of N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide?

N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide has a molecular weight of 488.68 g/mol, XLogP of 6.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide is sourced from PubChem (CID 5140232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).