N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide

C20H17N3O4 — CID 16590143

About N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide

N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide (PubChem CID 16590143) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
• PubChem CID: 16590143
• Molecular Formula: C20H17N3O4
• Molecular Weight: 363.37 g/mol
• Exact Mass: 363.12
• IUPAC Name: N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)C(c3ccco3)C2)c1
• InChI: InChI=1S/C20H17N3O4/c1-13(24)21-15-6-2-5-14(11-15)16-12-17(18-7-3-9-26-18)23(22-16)20(25)19-8-4-10-27-19/h2-11,17H,12H2,1H3,(H,21,24)
• InChIKey: IXDOGTWLONAFAH-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 88.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.37
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide?

The IUPAC name of N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide (CID 16590143) is N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2=NN(C(=O)c3ccco3)C(c3ccco3)C2)c1.

What is the InChIKey of N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide?

The InChIKey is IXDOGTWLONAFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-13(24)21-15-6-2-5-14(11-15)16-12-17(18-7-3-9-26-18)23(22-16)20(25)19-8-4-10-27-19/h2-11,17H,12H2,1H3,(H,21,24).

What are the key properties of N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide?

N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide has a molecular weight of 363.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 16590143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).