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

C19H11F2N5 — CID 6157251

IUPAC5-amino-3-[(Z)-1-cyano-2-(2,3-difluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESN#C/C(=C\c1cccc(F)c1F)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C19H11F2N5/c20-16-8-4-5-12(17(16)21)9-13(10-22)18-15(11-23)19(24)26(25-18)14-6-2-1-3-7-14/h1-9H,24H2/b13-9+
InChIKeySLWNFLYVFYLUTF-UKTHLTGXSA-N
MW347.33 g/mol
LogP3.67
Rot. Bonds3

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

5-amino-3-[(Z)-1-cyano-2-(2,3-difluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile (PubChem CID 6157251) has the molecular formula C19H11F2N5 and a molecular weight of 347.33 g/mol. Its IUPAC name is 5-amino-3-[(Z)-1-cyano-2-(2,3-difluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(Z)-1-cyano-2-(2,3-difluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
PubChem CID6157251
Molecular FormulaC19H11F2N5
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC Name5-amino-3-[(Z)-1-cyano-2-(2,3-difluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile
SMILESN#C/C(=C\c1cccc(F)c1F)c1nn(-c2ccccc2)c(N)c1C#N
InChIInChI=1S/C19H11F2N5/c20-16-8-4-5-12(17(16)21)9-13(10-22)18-15(11-23)19(24)26(25-18)14-6-2-1-3-7-14/h1-9H,24H2/b13-9+
InChIKeySLWNFLYVFYLUTF-UKTHLTGXSA-N
XLogP3.67
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.67
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-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
1H-Pyrazol-5-amine, 3-methyl-1-(4-methylphenyl)-
CID 112855
4-(3-Fluoro-phenylazo)-1-phenyl-1H-pyrazole-3,5-diamine
CID 3343493
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(Z)-1-cyano-2-(2,3-difluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(Z)-1-cyano-2-(2,3-difluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile (CID 6157251) is 5-amino-3-[(Z)-1-cyano-2-(2,3-difluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(Z)-1-cyano-2-(2,3-difluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(Z)-1-cyano-2-(2,3-difluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile is N#C/C(=C\c1cccc(F)c1F)c1nn(-c2ccccc2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-[(Z)-1-cyano-2-(2,3-difluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
The InChIKey is SLWNFLYVFYLUTF-UKTHLTGXSA-N. The full InChI is InChI=1S/C19H11F2N5/c20-16-8-4-5-12(17(16)21)9-13(10-22)18-15(11-23)19(24)26(25-18)14-6-2-1-3-7-14/h1-9H,24H2/b13-9+.
What are the key properties of 5-amino-3-[(Z)-1-cyano-2-(2,3-difluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile?
5-amino-3-[(Z)-1-cyano-2-(2,3-difluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile has a molecular weight of 347.33 g/mol, XLogP of 3.67, 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-(2,3-difluorophenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 6157251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).