[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

C28H24N4O4 — CID 4614325

About [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate

[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (PubChem CID 4614325) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

Molecular Properties

• Compound Name: [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
• PubChem CID: 4614325
• Molecular Formula: C28H24N4O4
• Molecular Weight: 480.52 g/mol
• Exact Mass: 480.18
• IUPAC Name: [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
• SMILES: COc1ccc(C2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)c2cnc(C)cn2)cc1
• InChI: InChI=1S/C28H24N4O4/c1-18-15-30-25(16-29-18)28(34)36-17-27(33)32-26(20-9-11-23(35-2)12-10-20)14-24(31-32)22-8-7-19-5-3-4-6-21(19)13-22/h3-13,15-16,26H,14,17H2,1-2H3
• InChIKey: QGCWBYMKHOGPRE-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 93.98 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.52
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate (CID 4614325) is [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate.

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

The canonical SMILES for [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is COc1ccc(C2CC(c3ccc4ccccc4c3)=NN2C(=O)COC(=O)c2cnc(C)cn2)cc1.

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

The InChIKey is QGCWBYMKHOGPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4/c1-18-15-30-25(16-29-18)28(34)36-17-27(33)32-26(20-9-11-23(35-2)12-10-20)14-24(31-32)22-8-7-19-5-3-4-6-21(19)13-22/h3-13,15-16,26H,14,17H2,1-2H3.

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

[2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate has a molecular weight of 480.52 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 4614325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).