6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C19H15FN4O2 — CID 3156221

About 6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3156221) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• PubChem CID: 3156221
• Molecular Formula: C19H15FN4O2
• Molecular Weight: 350.35 g/mol
• Exact Mass: 350.12
• IUPAC Name: 6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• SMILES: CCc1[nH]nc2c1C(c1ccc(-c3ccc(F)cc3)o1)C(C#N)=C(N)O2
• InChI: InChI=1S/C19H15FN4O2/c1-2-13-17-16(12(9-21)18(22)26-19(17)24-23-13)15-8-7-14(25-15)10-3-5-11(20)6-4-10/h3-8,16H,2,22H2,1H3,(H,23,24)
• InChIKey: BIMDOACUMVBZTC-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.35
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The IUPAC name of 6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3156221) is 6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

What is the SMILES notation for 6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The canonical SMILES for 6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCc1[nH]nc2c1C(c1ccc(-c3ccc(F)cc3)o1)C(C#N)=C(N)O2.

What is the InChIKey of 6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

The InChIKey is BIMDOACUMVBZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-2-13-17-16(12(9-21)18(22)26-19(17)24-23-13)15-8-7-14(25-15)10-3-5-11(20)6-4-10/h3-8,16H,2,22H2,1H3,(H,23,24).

What are the key properties of 6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?

6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 350.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3156221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).