[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate

C26H25N3O7 — CID 46791506

About [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate

[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate (PubChem CID 46791506) has the molecular formula C26H25N3O7 and a molecular weight of 491.50 g/mol. Its IUPAC name is [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate.

Molecular Properties

• Compound Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
• PubChem CID: 46791506
• Molecular Formula: C26H25N3O7
• Molecular Weight: 491.50 g/mol
• Exact Mass: 491.17
• IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
• SMILES: COc1ccc(C2=NN(C(=O)COC(=O)CNC(=O)c3cccc(OC)c3)C(c3ccco3)C2)cc1
• InChI: InChI=1S/C26H25N3O7/c1-33-19-10-8-17(9-11-19)21-14-22(23-7-4-12-35-23)29(28-21)24(30)16-36-25(31)15-27-26(32)18-5-3-6-20(13-18)34-2/h3-13,22H,14-16H2,1-2H3,(H,27,32)
• InChIKey: GQLQKSMBZLIXJC-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 119.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.50
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
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] 2-[(3-methoxybenzoyl)amino]acetate?

The IUPAC name of [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate (CID 46791506) is [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate.

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

The canonical SMILES for [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate is COc1ccc(C2=NN(C(=O)COC(=O)CNC(=O)c3cccc(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] 2-[(3-methoxybenzoyl)amino]acetate?

The InChIKey is GQLQKSMBZLIXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O7/c1-33-19-10-8-17(9-11-19)21-14-22(23-7-4-12-35-23)29(28-21)24(30)16-36-25(31)15-27-26(32)18-5-3-6-20(13-18)34-2/h3-13,22H,14-16H2,1-2H3,(H,27,32).

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

[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate has a molecular weight of 491.50 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 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] 2-[(3-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 46791506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).