1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone

C23H31N5O2S — CID 86959427

About 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone

1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone (PubChem CID 86959427) has the molecular formula C23H31N5O2S and a molecular weight of 441.60 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone
• PubChem CID: 86959427
• Molecular Formula: C23H31N5O2S
• Molecular Weight: 441.60 g/mol
• Exact Mass: 441.22
• IUPAC Name: 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone
• SMILES: CN1CCCC(N2CCN(CC(=O)N3N=C(c4ccco4)CC3c3cccs3)CC2)C1
• InChI: InChI=1S/C23H31N5O2S/c1-25-8-2-5-18(16-25)27-11-9-26(10-12-27)17-23(29)28-20(22-7-4-14-31-22)15-19(24-28)21-6-3-13-30-21/h3-4,6-7,13-14,18,20H,2,5,8-12,15-17H2,1H3
• InChIKey: IEXIGRFXKDFRAI-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 55.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.60
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone?

The IUPAC name of 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone (CID 86959427) is 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone?

The canonical SMILES for 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone is CN1CCCC(N2CCN(CC(=O)N3N=C(c4ccco4)CC3c3cccs3)CC2)C1.

What is the InChIKey of 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone?

The InChIKey is IEXIGRFXKDFRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2S/c1-25-8-2-5-18(16-25)27-11-9-26(10-12-27)17-23(29)28-20(22-7-4-14-31-22)15-19(24-28)21-6-3-13-30-21/h3-4,6-7,13-14,18,20H,2,5,8-12,15-17H2,1H3.

What are the key properties of 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone?

1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 441.60 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86959427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).