[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-methoxy-4-methylbenzoate

C25H24N2O6 — CID 43015645

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

[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-methoxy-4-methylbenzoate (PubChem CID 43015645) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-methoxy-4-methylbenzoate.

Molecular Properties

• Compound Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-methoxy-4-methylbenzoate
• PubChem CID: 43015645
• Molecular Formula: C25H24N2O6
• Molecular Weight: 448.48 g/mol
• Exact Mass: 448.16
• IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-methoxy-4-methylbenzoate
• SMILES: COc1ccc(C2=NN(C(=O)COC(=O)c3ccc(C)c(OC)c3)C(c3ccco3)C2)cc1
• InChI: InChI=1S/C25H24N2O6/c1-16-6-7-18(13-23(16)31-3)25(29)33-15-24(28)27-21(22-5-4-12-32-22)14-20(26-27)17-8-10-19(30-2)11-9-17/h4-13,21H,14-15H2,1-3H3
• InChIKey: RTKFLAIGXPAAMN-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 90.57 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.48
LogP ≤ 5	4.14
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] 3-methoxy-4-methylbenzoate?

The IUPAC name of [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-methoxy-4-methylbenzoate (CID 43015645) is [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-methoxy-4-methylbenzoate.

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

The canonical SMILES for [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-methoxy-4-methylbenzoate is COc1ccc(C2=NN(C(=O)COC(=O)c3ccc(C)c(OC)c3)C(c3ccco3)C2)cc1.

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

The InChIKey is RTKFLAIGXPAAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-16-6-7-18(13-23(16)31-3)25(29)33-15-24(28)27-21(22-5-4-12-32-22)14-20(26-27)17-8-10-19(30-2)11-9-17/h4-13,21H,14-15H2,1-3H3.

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

[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-methoxy-4-methylbenzoate has a molecular weight of 448.48 g/mol, XLogP of 4.14, 7 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] 3-methoxy-4-methylbenzoate is sourced from PubChem (CID 43015645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).