N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide

C24H22N4O4 — CID 5196805

About N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide

N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide (PubChem CID 5196805) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
• PubChem CID: 5196805
• Molecular Formula: C24H22N4O4
• Molecular Weight: 430.46 g/mol
• Exact Mass: 430.16
• IUPAC Name: N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
• SMILES: Cc1cccc(-n2nc(C)cc2NC(=O)C2CCC(=O)N2C2OC(=O)c3ccccc32)c1
• InChI: InChI=1S/C24H22N4O4/c1-14-6-5-7-16(12-14)28-20(13-15(2)26-28)25-22(30)19-10-11-21(29)27(19)23-17-8-3-4-9-18(17)24(31)32-23/h3-9,12-13,19,23H,10-11H2,1-2H3,(H,25,30)
• InChIKey: OTNGLVTZLJMTEQ-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 93.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.46
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide?

The IUPAC name of N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide (CID 5196805) is N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide?

The canonical SMILES for N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide is Cc1cccc(-n2nc(C)cc2NC(=O)C2CCC(=O)N2C2OC(=O)c3ccccc32)c1.

What is the InChIKey of N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide?

The InChIKey is OTNGLVTZLJMTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-14-6-5-7-16(12-14)28-20(13-15(2)26-28)25-22(30)19-10-11-21(29)27(19)23-17-8-3-4-9-18(17)24(31)32-23/h3-9,12-13,19,23H,10-11H2,1-2H3,(H,25,30).

What are the key properties of N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide?

N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 5196805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).