Compound Identification
SMILES
[O-][N+](=O)C1=C(C=CC(=C1)C(F)(F)F)N1N=CC(=C1Br)C1=NC(C#N)=C(N1)C#N
InChIKey
InChIKey=DDMCUEZXOMCKSA-UHFFFAOYSA-N
Formula
C15H5BrF3N7O2
Mass
452.151
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Pyrazoles
- Level 5 Phenylpyrazoles
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Subclass
Pyrazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Trifluoromethylbenzenes Nitrobenzenes 2,4,5-trisubstituted imidazoles Nitroaromatic compounds Aryl bromides Heteroaromatic compounds Organic oxoazanium compounds Nitriles Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Organic zwitterions Organobromides Hydrocarbon derivatives Organofluorides Alkyl fluorides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Trifluoromethylbenzene - Nitrobenzene - 2,4,5-trisubstituted-imidazole - Nitroaromatic compound - Trisubstituted imidazole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Azacycle - Organic oxoazanium - Organic zwitterion - Organobromide - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Alkyl halide - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors
Not available