N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C29H28N4O3 — CID 112833505

About N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 112833505) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
• PubChem CID: 112833505
• Molecular Formula: C29H28N4O3
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.22
• IUPAC Name: N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
• SMILES: COc1ccccc1-c1cc(NC(=O)c2cccc(CN3CCCC3=O)c2)n(-c2ccc(C)cc2)n1
• InChI: InChI=1S/C29H28N4O3/c1-20-12-14-23(15-13-20)33-27(18-25(31-33)24-9-3-4-10-26(24)36-2)30-29(35)22-8-5-7-21(17-22)19-32-16-6-11-28(32)34/h3-5,7-10,12-15,17-18H,6,11,16,19H2,1-2H3,(H,30,35)
• InChIKey: JYCMYZWAUGJCOZ-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?

The IUPAC name of N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 112833505) is N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

What is the SMILES notation for N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?

The canonical SMILES for N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is COc1ccccc1-c1cc(NC(=O)c2cccc(CN3CCCC3=O)c2)n(-c2ccc(C)cc2)n1.

What is the InChIKey of N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?

The InChIKey is JYCMYZWAUGJCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c1-20-12-14-23(15-13-20)33-27(18-25(31-33)24-9-3-4-10-26(24)36-2)30-29(35)22-8-5-7-21(17-22)19-32-16-6-11-28(32)34/h3-5,7-10,12-15,17-18H,6,11,16,19H2,1-2H3,(H,30,35).

What are the key properties of N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?

N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 480.57 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 112833505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).