2-[benzyl-(2-methoxyacetyl)amino]-N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]acetamide

C25H28Cl2N4O3 — CID 42734867

About 2-[benzyl-(2-methoxyacetyl)amino]-N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]acetamide

2-[benzyl-(2-methoxyacetyl)amino]-N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]acetamide (PubChem CID 42734867) has the molecular formula C25H28Cl2N4O3 and a molecular weight of 503.43 g/mol. Its IUPAC name is 2-[benzyl-(2-methoxyacetyl)amino]-N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[benzyl-(2-methoxyacetyl)amino]-N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]acetamide
• PubChem CID: 42734867
• Molecular Formula: C25H28Cl2N4O3
• Molecular Weight: 503.43 g/mol
• Exact Mass: 502.15
• IUPAC Name: 2-[benzyl-(2-methoxyacetyl)amino]-N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]acetamide
• SMILES: COCC(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)c(Cl)c1)Cc1ccccc1
• InChI: InChI=1S/C25H28Cl2N4O3/c1-25(2,3)21-13-22(31(29-21)18-10-11-19(26)20(27)12-18)28-23(32)15-30(24(33)16-34-4)14-17-8-6-5-7-9-17/h5-13H,14-16H2,1-4H3,(H,28,32)
• InChIKey: DOTDYWHHDIJDCX-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.43
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[benzyl-(2-methoxyacetyl)amino]-N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]acetamide (CID 42734867) is 2-[benzyl-(2-methoxyacetyl)amino]-N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]acetamide.

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

The canonical SMILES for 2-[benzyl-(2-methoxyacetyl)amino]-N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]acetamide is COCC(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)c(Cl)c1)Cc1ccccc1.

What is the InChIKey of 2-[benzyl-(2-methoxyacetyl)amino]-N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]acetamide?

The InChIKey is DOTDYWHHDIJDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O3/c1-25(2,3)21-13-22(31(29-21)18-10-11-19(26)20(27)12-18)28-23(32)15-30(24(33)16-34-4)14-17-8-6-5-7-9-17/h5-13H,14-16H2,1-4H3,(H,28,32).

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

2-[benzyl-(2-methoxyacetyl)amino]-N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]acetamide has a molecular weight of 503.43 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[benzyl-(2-methoxyacetyl)amino]-N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 42734867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).