[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-oxochromene-2-carboxylate

C26H20N2O7 — CID 42975992

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

[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 42975992) has the molecular formula C26H20N2O7 and a molecular weight of 472.45 g/mol. Its IUPAC name is [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

• Compound Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-oxochromene-2-carboxylate
• PubChem CID: 42975992
• Molecular Formula: C26H20N2O7
• Molecular Weight: 472.45 g/mol
• Exact Mass: 472.13
• IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-oxochromene-2-carboxylate
• SMILES: COc1ccc(C2=NN(C(=O)COC(=O)c3cc(=O)c4ccccc4o3)C(c3ccco3)C2)cc1
• InChI: InChI=1S/C26H20N2O7/c1-32-17-10-8-16(9-11-17)19-13-20(23-7-4-12-33-23)28(27-19)25(30)15-34-26(31)24-14-21(29)18-5-2-3-6-22(18)35-24/h2-12,14,20H,13,15H2,1H3
• InChIKey: CGQHPCWOWLZBMT-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 111.55 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.45
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-oxochromene-2-carboxylate?

The IUPAC name of [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 42975992) is [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-oxochromene-2-carboxylate.

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

The canonical SMILES for [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-oxochromene-2-carboxylate is COc1ccc(C2=NN(C(=O)COC(=O)c3cc(=O)c4ccccc4o3)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-oxochromene-2-carboxylate?

The InChIKey is CGQHPCWOWLZBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O7/c1-32-17-10-8-16(9-11-17)19-13-20(23-7-4-12-33-23)28(27-19)25(30)15-34-26(31)24-14-21(29)18-5-2-3-6-22(18)35-24/h2-12,14,20H,13,15H2,1H3.

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

[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 472.45 g/mol, XLogP of 3.93, 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-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 42975992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).