2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

C23H20FN7O2 — CID 56514406

About 2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 56514406) has the molecular formula C23H20FN7O2 and a molecular weight of 445.46 g/mol. Its IUPAC name is 2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
• PubChem CID: 56514406
• Molecular Formula: C23H20FN7O2
• Molecular Weight: 445.46 g/mol
• Exact Mass: 445.17
• IUPAC Name: 2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
• SMILES: Cc1ccc(C2=NN(C(=O)CNc3cc(-n4cnnn4)ccc3F)C(c3ccco3)C2)cc1
• InChI: InChI=1S/C23H20FN7O2/c1-15-4-6-16(7-5-15)19-12-21(22-3-2-10-33-22)31(27-19)23(32)13-25-20-11-17(8-9-18(20)24)30-14-26-28-29-30/h2-11,14,21,25H,12-13H2,1H3
• InChIKey: KUXPCGSYEOWJMW-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 101.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.46
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?

The IUPAC name of 2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 56514406) is 2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone.

What is the SMILES notation for 2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?

The canonical SMILES for 2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone is Cc1ccc(C2=NN(C(=O)CNc3cc(-n4cnnn4)ccc3F)C(c3ccco3)C2)cc1.

What is the InChIKey of 2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?

The InChIKey is KUXPCGSYEOWJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O2/c1-15-4-6-16(7-5-15)19-12-21(22-3-2-10-33-22)31(27-19)23(32)13-25-20-11-17(8-9-18(20)24)30-14-26-28-29-30/h2-11,14,21,25H,12-13H2,1H3.

What are the key properties of 2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?

2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 445.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-5-(tetrazol-1-yl)anilino]-1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 56514406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).