1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one

C24H23N3O3 — CID 56509235

About 1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one

1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one (PubChem CID 56509235) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one
• PubChem CID: 56509235
• Molecular Formula: C24H23N3O3
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.17
• IUPAC Name: 1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one
• SMILES: COc1ccc(C2CC(c3ccccc3)=NN2C(=O)Cn2cccc(C)c2=O)cc1
• InChI: InChI=1S/C24H23N3O3/c1-17-7-6-14-26(24(17)29)16-23(28)27-22(19-10-12-20(30-2)13-11-19)15-21(25-27)18-8-4-3-5-9-18/h3-14,22H,15-16H2,1-2H3
• InChIKey: PYDWFJYFDADQSH-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 63.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one?

The IUPAC name of 1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one (CID 56509235) is 1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one.

What is the SMILES notation for 1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one?

The canonical SMILES for 1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one is COc1ccc(C2CC(c3ccccc3)=NN2C(=O)Cn2cccc(C)c2=O)cc1.

What is the InChIKey of 1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one?

The InChIKey is PYDWFJYFDADQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-7-6-14-26(24(17)29)16-23(28)27-22(19-10-12-20(30-2)13-11-19)15-21(25-27)18-8-4-3-5-9-18/h3-14,22H,15-16H2,1-2H3.

What are the key properties of 1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one?

1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one has a molecular weight of 401.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-methylpyridin-2-one is sourced from PubChem (CID 56509235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).