N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-methylamino]acetamide

C24H27Cl2N5O3 — CID 42734114

About N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-methylamino]acetamide

N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-methylamino]acetamide (PubChem CID 42734114) has the molecular formula C24H27Cl2N5O3 and a molecular weight of 504.42 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-methylamino]acetamide.

Molecular Properties

• Compound Name: N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-methylamino]acetamide
• PubChem CID: 42734114
• Molecular Formula: C24H27Cl2N5O3
• Molecular Weight: 504.42 g/mol
• Exact Mass: 503.15
• IUPAC Name: N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-methylamino]acetamide
• SMILES: COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C24H27Cl2N5O3/c1-24(2,3)20-13-21(31(29-20)16-7-9-17(34-5)10-8-16)28-22(32)14-30(4)23(33)27-19-11-6-15(25)12-18(19)26/h6-13H,14H2,1-5H3,(H,27,33)(H,28,32)
• InChIKey: XQZGGFIBCHAPFG-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.42
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-methylamino]acetamide (CID 42734114) is N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-methylamino]acetamide.

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

The canonical SMILES for N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-methylamino]acetamide is COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)Nc2ccc(Cl)cc2Cl)cc1.

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

The InChIKey is XQZGGFIBCHAPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O3/c1-24(2,3)20-13-21(31(29-20)16-7-9-17(34-5)10-8-16)28-22(32)14-30(4)23(33)27-19-11-6-15(25)12-18(19)26/h6-13H,14H2,1-5H3,(H,27,33)(H,28,32).

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

N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-methylamino]acetamide has a molecular weight of 504.42 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,4-dichlorophenyl)carbamoyl-methylamino]acetamide is sourced from PubChem (CID 42734114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).