2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide

C28H37N5O2 — CID 1056710

About 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide

2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide (PubChem CID 1056710) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
• PubChem CID: 1056710
• Molecular Formula: C28H37N5O2
• Molecular Weight: 475.64 g/mol
• Exact Mass: 475.29
• IUPAC Name: 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
• SMILES: Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(CC(C)C)C(=O)NCc2ccccc2)c1
• InChI: InChI=1S/C28H37N5O2/c1-20(2)18-32(27(35)29-17-22-12-8-7-9-13-22)19-26(34)30-25-16-24(28(4,5)6)31-33(25)23-14-10-11-21(3)15-23/h7-16,20H,17-19H2,1-6H3,(H,29,35)(H,30,34)
• InChIKey: HZGJWXDTNOXHGD-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.64
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide?

The IUPAC name of 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide (CID 1056710) is 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide.

What is the SMILES notation for 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide?

The canonical SMILES for 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide is Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(CC(C)C)C(=O)NCc2ccccc2)c1.

What is the InChIKey of 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide?

The InChIKey is HZGJWXDTNOXHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-20(2)18-32(27(35)29-17-22-12-8-7-9-13-22)19-26(34)30-25-16-24(28(4,5)6)31-33(25)23-14-10-11-21(3)15-23/h7-16,20H,17-19H2,1-6H3,(H,29,35)(H,30,34).

What are the key properties of 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide?

2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide has a molecular weight of 475.64 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 1056710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).