2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide

C20H17N3O5 — CID 51173888

About 2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide

2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide (PubChem CID 51173888) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide.

Molecular Properties

• Compound Name: 2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide
• PubChem CID: 51173888
• Molecular Formula: C20H17N3O5
• Molecular Weight: 379.37 g/mol
• Exact Mass: 379.12
• IUPAC Name: 2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide
• SMILES: NC(=O)c1ccccc1OCC(=O)N1N=C(c2ccco2)CC1c1ccco1
• InChI: InChI=1S/C20H17N3O5/c21-20(25)13-5-1-2-6-16(13)28-12-19(24)23-15(18-8-4-10-27-18)11-14(22-23)17-7-3-9-26-17/h1-10,15H,11-12H2,(H2,21,25)
• InChIKey: KUAMLTFFPZYPSJ-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 111.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.37
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide?

The IUPAC name of 2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide (CID 51173888) is 2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide.

What is the SMILES notation for 2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide?

The canonical SMILES for 2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)N1N=C(c2ccco2)CC1c1ccco1.

What is the InChIKey of 2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide?

The InChIKey is KUAMLTFFPZYPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c21-20(25)13-5-1-2-6-16(13)28-12-19(24)23-15(18-8-4-10-27-18)11-14(22-23)17-7-3-9-26-17/h1-10,15H,11-12H2,(H2,21,25).

What are the key properties of 2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide?

2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide has a molecular weight of 379.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 51173888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).