5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

C19H14FN5O2 — CID 5291683

About 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile (PubChem CID 5291683) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
• PubChem CID: 5291683
• Molecular Formula: C19H14FN5O2
• Molecular Weight: 363.35 g/mol
• Exact Mass: 363.11
• IUPAC Name: 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
• SMILES: N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nn(CCO)c(N)c1C#N
• InChI: InChI=1S/C19H14FN5O2/c20-16-4-2-1-3-14(16)17-6-5-13(27-17)9-12(10-21)18-15(11-22)19(23)25(24-18)7-8-26/h1-6,9,26H,7-8,23H2/b12-9+
• InChIKey: JQEQUFAOIRNAMC-FMIVXFBMSA-N
• XLogP: 2.79
• TPSA: 124.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.35
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?

The IUPAC name of 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile (CID 5291683) is 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.

What is the SMILES notation for 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?

The canonical SMILES for 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nn(CCO)c(N)c1C#N.

What is the InChIKey of 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?

The InChIKey is JQEQUFAOIRNAMC-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H14FN5O2/c20-16-4-2-1-3-14(16)17-6-5-13(27-17)9-12(10-21)18-15(11-22)19(23)25(24-18)7-8-26/h1-6,9,26H,7-8,23H2/b12-9+.

What are the key properties of 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?

5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile has a molecular weight of 363.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 5291683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).