1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone

C24H30N4O2 — CID 46030915

About 1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone

1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone (PubChem CID 46030915) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone
• PubChem CID: 46030915
• Molecular Formula: C24H30N4O2
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.24
• IUPAC Name: 1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone
• SMILES: CCOc1ccc(C2CC(c3ccccc3)=NN2C(=O)CN2CCNCC2C)cc1
• InChI: InChI=1S/C24H30N4O2/c1-3-30-21-11-9-20(10-12-21)23-15-22(19-7-5-4-6-8-19)26-28(23)24(29)17-27-14-13-25-16-18(27)2/h4-12,18,23,25H,3,13-17H2,1-2H3
• InChIKey: GTCQPWNGQGVJMQ-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 57.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone?

The IUPAC name of 1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone (CID 46030915) is 1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone.

What is the SMILES notation for 1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone?

The canonical SMILES for 1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone is CCOc1ccc(C2CC(c3ccccc3)=NN2C(=O)CN2CCNCC2C)cc1.

What is the InChIKey of 1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone?

The InChIKey is GTCQPWNGQGVJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-3-30-21-11-9-20(10-12-21)23-15-22(19-7-5-4-6-8-19)26-28(23)24(29)17-27-14-13-25-16-18(27)2/h4-12,18,23,25H,3,13-17H2,1-2H3.

What are the key properties of 1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone?

1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone has a molecular weight of 406.53 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-ethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(2-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 46030915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).