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

C31H37N5O2 — CID 3980221

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

N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[butyl(naphthalen-1-ylcarbamoyl)amino]acetamide (PubChem CID 3980221) has the molecular formula C31H37N5O2 and a molecular weight of 511.67 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[butyl(naphthalen-1-ylcarbamoyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[butyl(naphthalen-1-ylcarbamoyl)amino]acetamide
• PubChem CID: 3980221
• Molecular Formula: C31H37N5O2
• Molecular Weight: 511.67 g/mol
• Exact Mass: 511.29
• IUPAC Name: N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[butyl(naphthalen-1-ylcarbamoyl)amino]acetamide
• SMILES: CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C)C(=O)Nc1cccc2ccccc12
• InChI: InChI=1S/C31H37N5O2/c1-6-7-19-35(30(38)32-25-17-12-15-23-14-9-10-16-24(23)25)21-29(37)33-28-20-27(31(3,4)5)34-36(28)26-18-11-8-13-22(26)2/h8-18,20H,6-7,19,21H2,1-5H3,(H,32,38)(H,33,37)
• InChIKey: CEVSXPZFWOJMDC-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.67
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[butyl(naphthalen-1-ylcarbamoyl)amino]acetamide (CID 3980221) is N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[butyl(naphthalen-1-ylcarbamoyl)amino]acetamide.

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

The canonical SMILES for N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[butyl(naphthalen-1-ylcarbamoyl)amino]acetamide is CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C)C(=O)Nc1cccc2ccccc12.

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

The InChIKey is CEVSXPZFWOJMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O2/c1-6-7-19-35(30(38)32-25-17-12-15-23-14-9-10-16-24(23)25)21-29(37)33-28-20-27(31(3,4)5)34-36(28)26-18-11-8-13-22(26)2/h8-18,20H,6-7,19,21H2,1-5H3,(H,32,38)(H,33,37).

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

N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[butyl(naphthalen-1-ylcarbamoyl)amino]acetamide has a molecular weight of 511.67 g/mol, XLogP of 6.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[butyl(naphthalen-1-ylcarbamoyl)amino]acetamide is sourced from PubChem (CID 3980221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).