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

C30H26N2O4 — CID 16539951

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

[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 16539951) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

• Compound Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-naphthalen-1-ylacetate
• PubChem CID: 16539951
• Molecular Formula: C30H26N2O4
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.19
• IUPAC Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-naphthalen-1-ylacetate
• SMILES: COc1ccc(C2CC(c3ccccc3)=NN2C(=O)COC(=O)Cc2cccc3ccccc23)cc1
• InChI: InChI=1S/C30H26N2O4/c1-35-25-16-14-23(15-17-25)28-19-27(22-9-3-2-4-10-22)31-32(28)29(33)20-36-30(34)18-24-12-7-11-21-8-5-6-13-26(21)24/h2-17,28H,18-20H2,1H3
• InChIKey: CGIVFUZSBCJZKG-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 68.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 16539951) is [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-naphthalen-1-ylacetate.

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

The canonical SMILES for [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-naphthalen-1-ylacetate is COc1ccc(C2CC(c3ccccc3)=NN2C(=O)COC(=O)Cc2cccc3ccccc23)cc1.

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

The InChIKey is CGIVFUZSBCJZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4/c1-35-25-16-14-23(15-17-25)28-19-27(22-9-3-2-4-10-22)31-32(28)29(33)20-36-30(34)18-24-12-7-11-21-8-5-6-13-26(21)24/h2-17,28H,18-20H2,1H3.

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

[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 478.55 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 16539951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).