N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide

C25H26N4O3S — CID 46677581

About N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide

N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 46677581) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide
• PubChem CID: 46677581
• Molecular Formula: C25H26N4O3S
• Molecular Weight: 462.58 g/mol
• Exact Mass: 462.17
• IUPAC Name: N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide
• SMILES: O=C(NC1CCN(CC(=O)N2N=C(c3cccs3)CC2c2ccco2)CC1)c1ccccc1
• InChI: InChI=1S/C25H26N4O3S/c30-24(17-28-12-10-19(11-13-28)26-25(31)18-6-2-1-3-7-18)29-21(22-8-4-14-32-22)16-20(27-29)23-9-5-15-33-23/h1-9,14-15,19,21H,10-13,16-17H2,(H,26,31)
• InChIKey: XCACYTAVAAJRGI-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 78.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.58
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide?

The IUPAC name of N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide (CID 46677581) is N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide.

What is the SMILES notation for N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide?

The canonical SMILES for N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide is O=C(NC1CCN(CC(=O)N2N=C(c3cccs3)CC2c2ccco2)CC1)c1ccccc1.

What is the InChIKey of N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide?

The InChIKey is XCACYTAVAAJRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c30-24(17-28-12-10-19(11-13-28)26-25(31)18-6-2-1-3-7-18)29-21(22-8-4-14-32-22)16-20(27-29)23-9-5-15-33-23/h1-9,14-15,19,21H,10-13,16-17H2,(H,26,31).

What are the key properties of N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide?

N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 462.58 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46677581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).