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

C23H14FN5O — CID 5290885

IUPAC5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESN#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C23H14FN5O/c24-20-9-5-4-8-18(20)21-11-10-17(30-21)12-15(13-25)22-19(14-26)23(27)29(28-22)16-6-2-1-3-7-16/h1-12H,27H2/b15-12+
InChIKeyZLYLTDMHJBGDBS-NTCAYCPXSA-N
MW395.40 g/mol
LogP4.79
Rot. Bonds4

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

5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile (PubChem CID 5290885) has the molecular formula C23H14FN5O and a molecular weight of 395.40 g/mol. Its IUPAC name is 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile
PubChem CID5290885
Molecular FormulaC23H14FN5O
Molecular Weight395.40 g/mol
Exact Mass395.12
IUPAC Name5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESN#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C23H14FN5O/c24-20-9-5-4-8-18(20)21-11-10-17(30-21)12-15(13-25)22-19(14-26)23(27)29(28-22)16-6-2-1-3-7-16/h1-12H,27H2/b15-12+
InChIKeyZLYLTDMHJBGDBS-NTCAYCPXSA-N
XLogP4.79
TPSA104.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 6011596
CID 6011596
CID 1554430
CID 1554430
CID 1527403
CID 1527403
CID 44601713
CID 44601713
CID 5291683
CID 5291683
CID 5724571
CID 5724571
CID 5286841
CID 5286841
CID 5289966
CID 5289966
CID 5340906
CID 5340906
CID 5769357
CID 5769357
CID 5290570
CID 5290570
CID 5446224
CID 5446224

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile (CID 5290885) is 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile is N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nn(-c2ccccc2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile?
The InChIKey is ZLYLTDMHJBGDBS-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H14FN5O/c24-20-9-5-4-8-18(20)21-11-10-17(30-21)12-15(13-25)22-19(14-26)23(27)29(28-22)16-6-2-1-3-7-16/h1-12H,27H2/b15-12+.
What are the key properties of 5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile?
5-amino-3-[(Z)-1-cyano-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile has a molecular weight of 395.40 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 5290885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).