[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

C26H23FN2O6 — CID 42975989

About [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 42975989) has the molecular formula C26H23FN2O6 and a molecular weight of 478.48 g/mol. Its IUPAC name is [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

• Compound Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
• PubChem CID: 42975989
• Molecular Formula: C26H23FN2O6
• Molecular Weight: 478.48 g/mol
• Exact Mass: 478.15
• IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
• SMILES: COc1ccc(C2=NN(C(=O)COC(=O)CCC(=O)c3ccc(F)cc3)C(c3ccco3)C2)cc1
• InChI: InChI=1S/C26H23FN2O6/c1-33-20-10-6-17(7-11-20)21-15-22(24-3-2-14-34-24)29(28-21)25(31)16-35-26(32)13-12-23(30)18-4-8-19(27)9-5-18/h2-11,14,22H,12-13,15-16H2,1H3
• InChIKey: ORUBMKLAWAVMCS-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 98.41 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.48
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?

The IUPAC name of [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 42975989) is [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

What is the SMILES notation for [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?

The canonical SMILES for [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is COc1ccc(C2=NN(C(=O)COC(=O)CCC(=O)c3ccc(F)cc3)C(c3ccco3)C2)cc1.

What is the InChIKey of [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?

The InChIKey is ORUBMKLAWAVMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O6/c1-33-20-10-6-17(7-11-20)21-15-22(24-3-2-14-34-24)29(28-21)25(31)16-35-26(32)13-12-23(30)18-4-8-19(27)9-5-18/h2-11,14,22H,12-13,15-16H2,1H3.

What are the key properties of [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?

[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 478.48 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 42975989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).