2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide

C26H32BrN5O2 — CID 4540271

About 2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide

2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide (PubChem CID 4540271) has the molecular formula C26H32BrN5O2 and a molecular weight of 526.48 g/mol. Its IUPAC name is 2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
• PubChem CID: 4540271
• Molecular Formula: C26H32BrN5O2
• Molecular Weight: 526.48 g/mol
• Exact Mass: 525.17
• IUPAC Name: 2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
• SMILES: CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)Nc1ccccc1Br
• InChI: InChI=1S/C26H32BrN5O2/c1-6-14-31(25(34)28-21-13-8-7-12-20(21)27)17-24(33)29-23-16-22(26(3,4)5)30-32(23)19-11-9-10-18(2)15-19/h7-13,15-16H,6,14,17H2,1-5H3,(H,28,34)(H,29,33)
• InChIKey: QWHCXYAHKKTCJU-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.48
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide?

The IUPAC name of 2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide (CID 4540271) is 2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide.

What is the SMILES notation for 2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide?

The canonical SMILES for 2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide is CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)Nc1ccccc1Br.

What is the InChIKey of 2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide?

The InChIKey is QWHCXYAHKKTCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32BrN5O2/c1-6-14-31(25(34)28-21-13-8-7-12-20(21)27)17-24(33)29-23-16-22(26(3,4)5)30-32(23)19-11-9-10-18(2)15-19/h7-13,15-16H,6,14,17H2,1-5H3,(H,28,34)(H,29,33).

What are the key properties of 2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide?

2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide has a molecular weight of 526.48 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 4540271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).