(3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C24H26N4O3 — CID 92626405

About (3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 92626405) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is (3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 92626405
• Molecular Formula: C24H26N4O3
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.20
• IUPAC Name: (3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(C)cc2-c2cc(C)[nH]n2)CC1=O
• InChI: InChI=1S/C24H26N4O3/c1-14-5-7-19(18(9-14)20-11-16(3)26-27-20)25-24(30)17-12-23(29)28(13-17)21-10-15(2)6-8-22(21)31-4/h5-11,17H,12-13H2,1-4H3,(H,25,30)(H,26,27)/t17-/m0/s1
• InChIKey: KTRGVBOEOVIKHE-KRWDZBQOSA-N
• XLogP: 4.00
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 92626405) is (3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2ccc(C)cc2-c2cc(C)[nH]n2)CC1=O.

What is the InChIKey of (3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is KTRGVBOEOVIKHE-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-14-5-7-19(18(9-14)20-11-16(3)26-27-20)25-24(30)17-12-23(29)28(13-17)21-10-15(2)6-8-22(21)31-4/h5-11,17H,12-13H2,1-4H3,(H,25,30)(H,26,27)/t17-/m0/s1.

What are the key properties of (3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?

(3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-(2-methoxy-5-methylphenyl)-N-[4-methyl-2-(5-methyl-1H-pyrazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92626405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).