2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide

C26H31Cl2N5O2 — CID 3594313

About 2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide

2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide (PubChem CID 3594313) has the molecular formula C26H31Cl2N5O2 and a molecular weight of 516.47 g/mol. Its IUPAC name is 2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide
• PubChem CID: 3594313
• Molecular Formula: C26H31Cl2N5O2
• Molecular Weight: 516.47 g/mol
• Exact Mass: 515.19
• IUPAC Name: 2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide
• SMILES: CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C26H31Cl2N5O2/c1-5-6-15-32(25(35)29-19-13-11-18(27)12-14-19)17-24(34)30-23-16-22(26(2,3)4)31-33(23)21-10-8-7-9-20(21)28/h7-14,16H,5-6,15,17H2,1-4H3,(H,29,35)(H,30,34)
• InChIKey: GAUORHHHWGTYPF-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 79.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.47
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide?

The IUPAC name of 2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide (CID 3594313) is 2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide.

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

The canonical SMILES for 2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide is CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1.

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

The InChIKey is GAUORHHHWGTYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31Cl2N5O2/c1-5-6-15-32(25(35)29-19-13-11-18(27)12-14-19)17-24(34)30-23-16-22(26(2,3)4)31-33(23)21-10-8-7-9-20(21)28/h7-14,16H,5-6,15,17H2,1-4H3,(H,29,35)(H,30,34).

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

2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide has a molecular weight of 516.47 g/mol, XLogP of 6.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[butyl-[(4-chlorophenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 3594313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).