7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one

C27H26N2O5 — CID 24582181

About 7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one

7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one (PubChem CID 24582181) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one.

Molecular Properties

• Compound Name: 7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one
• PubChem CID: 24582181
• Molecular Formula: C27H26N2O5
• Molecular Weight: 458.51 g/mol
• Exact Mass: 458.18
• IUPAC Name: 7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one
• SMILES: COc1ccc(C2=NN(C(=O)COc3ccc(C)c4c3C(=O)CC4C)C(c3ccco3)C2)cc1
• InChI: InChI=1S/C27H26N2O5/c1-16-6-11-24(27-22(30)13-17(2)26(16)27)34-15-25(31)29-21(23-5-4-12-33-23)14-20(28-29)18-7-9-19(32-3)10-8-18/h4-12,17,21H,13-15H2,1-3H3
• InChIKey: WRLPHZCEYZBSSQ-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 81.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.51
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one?

The IUPAC name of 7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one (CID 24582181) is 7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one.

What is the SMILES notation for 7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one?

The canonical SMILES for 7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one is COc1ccc(C2=NN(C(=O)COc3ccc(C)c4c3C(=O)CC4C)C(c3ccco3)C2)cc1.

What is the InChIKey of 7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one?

The InChIKey is WRLPHZCEYZBSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-16-6-11-24(27-22(30)13-17(2)26(16)27)34-15-25(31)29-21(23-5-4-12-33-23)14-20(28-29)18-7-9-19(32-3)10-8-18/h4-12,17,21H,13-15H2,1-3H3.

What are the key properties of 7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one?

7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one has a molecular weight of 458.51 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3,4-dimethyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 24582181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).