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

C19H12FN5 — CID 2851488

IUPAC5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESN#CC(=Cc1ccccc1F)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C19H12FN5/c20-17-9-5-4-6-13(17)10-14(11-21)18-16(12-22)19(23)25(24-18)15-7-2-1-3-8-15/h1-10H,23H2
InChIKeyWDMOHQDEGKYVHD-UHFFFAOYSA-N
MW329.34 g/mol
LogP3.53
Rot. Bonds3

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

5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile (PubChem CID 2851488) has the molecular formula C19H12FN5 and a molecular weight of 329.34 g/mol. Its IUPAC name is 5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
PubChem CID2851488
Molecular FormulaC19H12FN5
Molecular Weight329.34 g/mol
Exact Mass329.11
IUPAC Name5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESN#CC(=Cc1ccccc1F)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C19H12FN5/c20-17-9-5-4-6-13(17)10-14(11-21)18-16(12-22)19(23)25(24-18)15-7-2-1-3-8-15/h1-10H,23H2
InChIKeyWDMOHQDEGKYVHD-UHFFFAOYSA-N
XLogP3.53
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-[(Z)-1-cyano-2-[2-(trifluoromethyl)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5334314
5-amino-3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 5287070
5-amino-3-[1-cyano-2-(1,3-diphenylpyrazol-4-yl)ethenyl]-1-phenylpyrazole-4-carbonitrile
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5-amino-3-[(E)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 92885741
5-amino-3-[(E)-2-(1-benzylindol-3-yl)-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 92858123
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CID 5286804
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5-amino-3-[2-[5-(4-bromophenyl)furan-2-yl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 3100079
5-amino-3-[1-cyano-2-[5-(2,6-dichlorophenyl)furan-2-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile
CID 3444686
5-amino-3-[2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1-cyanoethenyl]-1-phenylpyrazole-4-carbonitrile
CID 4041623
5-amino-3-[1-cyano-2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]-1-phenylpyrazole-4-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile (CID 2851488) is 5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile is N#CC(=Cc1ccccc1F)c1nn(-c2ccccc2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The InChIKey is WDMOHQDEGKYVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN5/c20-17-9-5-4-6-13(17)10-14(11-21)18-16(12-22)19(23)25(24-18)15-7-2-1-3-8-15/h1-10H,23H2.
What are the key properties of 5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile has a molecular weight of 329.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[1-cyano-2-(2-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 2851488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).