[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate

C24H19N3O6S — CID 55317113

About [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate

[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 55317113) has the molecular formula C24H19N3O6S and a molecular weight of 477.50 g/mol. Its IUPAC name is [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

• Compound Name: [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
• PubChem CID: 55317113
• Molecular Formula: C24H19N3O6S
• Molecular Weight: 477.50 g/mol
• Exact Mass: 477.10
• IUPAC Name: [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
• SMILES: CC(C(=O)OCC(=O)N1N=C(c2cccs2)CC1c1ccco1)N1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C24H19N3O6S/c1-14(26-22(29)15-6-2-3-7-16(15)23(26)30)24(31)33-13-21(28)27-18(19-8-4-10-32-19)12-17(25-27)20-9-5-11-34-20/h2-11,14,18H,12-13H2,1H3
• InChIKey: GSLZQYBWFOKHJT-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 109.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.50
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate (CID 55317113) is [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate.

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

The canonical SMILES for [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate is CC(C(=O)OCC(=O)N1N=C(c2cccs2)CC1c1ccco1)N1C(=O)c2ccccc2C1=O.

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

The InChIKey is GSLZQYBWFOKHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O6S/c1-14(26-22(29)15-6-2-3-7-16(15)23(26)30)24(31)33-13-21(28)27-18(19-8-4-10-32-19)12-17(25-27)20-9-5-11-34-20/h2-11,14,18H,12-13H2,1H3.

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

[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 477.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 55317113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).