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

C19H12FN5 — CID 5286857

IUPAC5-amino-3-[(Z)-1-cyano-2-(4-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESN#C/C(=C\c1ccc(F)cc1)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C19H12FN5/c20-15-8-6-13(7-9-15)10-14(11-21)18-17(12-22)19(23)25(24-18)16-4-2-1-3-5-16/h1-10H,23H2/b14-10+
InChIKeyHJRDNQIOOHKLAG-GXDHUFHOSA-N
MW329.34 g/mol
LogP3.53
Rot. Bonds3

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

5-amino-3-[(Z)-1-cyano-2-(4-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile (PubChem CID 5286857) has the molecular formula C19H12FN5 and a molecular weight of 329.34 g/mol. Its IUPAC name is 5-amino-3-[(Z)-1-cyano-2-(4-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(Z)-1-cyano-2-(4-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
PubChem CID5286857
Molecular FormulaC19H12FN5
Molecular Weight329.34 g/mol
Exact Mass329.11
IUPAC Name5-amino-3-[(Z)-1-cyano-2-(4-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESN#C/C(=C\c1ccc(F)cc1)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C19H12FN5/c20-15-8-6-13(7-9-15)10-14(11-21)18-17(12-22)19(23)25(24-18)16-4-2-1-3-5-16/h1-10H,23H2/b14-10+
InChIKeyHJRDNQIOOHKLAG-GXDHUFHOSA-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

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile
CID 688685
2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 7130757
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840
5-Amino-1-(p-tolyl)pyrazole-4-carbonitrile
CID 2800424

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(Z)-1-cyano-2-(4-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(Z)-1-cyano-2-(4-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile (CID 5286857) is 5-amino-3-[(Z)-1-cyano-2-(4-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(Z)-1-cyano-2-(4-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(Z)-1-cyano-2-(4-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile is N#C/C(=C\c1ccc(F)cc1)c1nn(-c2ccccc2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-[(Z)-1-cyano-2-(4-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The InChIKey is HJRDNQIOOHKLAG-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H12FN5/c20-15-8-6-13(7-9-15)10-14(11-21)18-17(12-22)19(23)25(24-18)16-4-2-1-3-5-16/h1-10H,23H2/b14-10+.
What are the key properties of 5-amino-3-[(Z)-1-cyano-2-(4-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
5-amino-3-[(Z)-1-cyano-2-(4-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-[(Z)-1-cyano-2-(4-fluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 5286857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).