2-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide

C26H32BrN5O2 — CID 3545202

About 2-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide

2-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide (PubChem CID 3545202) has the molecular formula C26H32BrN5O2 and a molecular weight of 526.48 g/mol. Its IUPAC name is 2-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
• PubChem CID: 3545202
• Molecular Formula: C26H32BrN5O2
• Molecular Weight: 526.48 g/mol
• Exact Mass: 525.17
• IUPAC Name: 2-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
• SMILES: CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)C(=O)Nc1cccc(Br)c1
• InChI: InChI=1S/C26H32BrN5O2/c1-6-14-31(25(34)28-20-9-7-8-19(27)15-20)17-24(33)29-23-16-22(26(3,4)5)30-32(23)21-12-10-18(2)11-13-21/h7-13,15-16H,6,14,17H2,1-5H3,(H,28,34)(H,29,33)
• InChIKey: NKLXZIWLORYBTD-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-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide?

The IUPAC name of 2-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide (CID 3545202) is 2-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide.

What is the SMILES notation for 2-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide?

The canonical SMILES for 2-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide is CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)C(=O)Nc1cccc(Br)c1.

What is the InChIKey of 2-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide?

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

What are the key properties of 2-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide?

2-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-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-[(3-bromophenyl)carbamoyl-propylamino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 3545202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).