1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide

C24H28N4O6S — CID 43926637

About 1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide

1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 43926637) has the molecular formula C24H28N4O6S and a molecular weight of 500.58 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide
• PubChem CID: 43926637
• Molecular Formula: C24H28N4O6S
• Molecular Weight: 500.58 g/mol
• Exact Mass: 500.17
• IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC
• InChI: InChI=1S/C24H28N4O6S/c1-16-22(24(30)28(26(16)2)17-9-6-5-7-10-17)25-23(29)19-11-8-14-27(19)35(31,32)18-12-13-20(33-3)21(15-18)34-4/h5-7,9-10,12-13,15,19H,8,11,14H2,1-4H3,(H,25,29)
• InChIKey: HLILVESIITVLKW-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 111.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.58
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide?

The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide (CID 43926637) is 1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC.

What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide?

The InChIKey is HLILVESIITVLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6S/c1-16-22(24(30)28(26(16)2)17-9-6-5-7-10-17)25-23(29)19-11-8-14-27(19)35(31,32)18-12-13-20(33-3)21(15-18)34-4/h5-7,9-10,12-13,15,19H,8,11,14H2,1-4H3,(H,25,29).

What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide?

1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 500.58 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43926637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).