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

C24H22N4O5 — CID 5204075

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide (PubChem CID 5204075) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
• PubChem CID: 5204075
• Molecular Formula: C24H22N4O5
• Molecular Weight: 446.46 g/mol
• Exact Mass: 446.16
• IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
• SMILES: Cc1c(NC(=O)C2CCC(=O)N2C2OC(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C24H22N4O5/c1-14-20(22(31)28(26(14)2)15-8-4-3-5-9-15)25-21(30)18-12-13-19(29)27(18)23-16-10-6-7-11-17(16)24(32)33-23/h3-11,18,23H,12-13H2,1-2H3,(H,25,30)
• InChIKey: UIHHJXSVCSFATA-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 102.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.46
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide (CID 5204075) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide.

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

The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide is Cc1c(NC(=O)C2CCC(=O)N2C2OC(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C.

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

The InChIKey is UIHHJXSVCSFATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-14-20(22(31)28(26(14)2)15-8-4-3-5-9-15)25-21(30)18-12-13-19(29)27(18)23-16-10-6-7-11-17(16)24(32)33-23/h3-11,18,23H,12-13H2,1-2H3,(H,25,30).

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

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 5204075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).