Compound Identification
SMILES
OC1=C(CC=C)C=CC=C1C=NNC(=O)C1=NN(CC2=CC=C(Cl)C=C2)C=C1Br
InChIKey
InChIKey=SEKLJMZKWQVVPR-UHFFFAOYSA-N
Formula
C21H18BrClN4O2
Mass
473.76
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
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Level 5
Pyrazole carboxylic acids and derivatives
- Level 6 Pyrazole-5-carboxamides
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Level 5
Pyrazole carboxylic acids and derivatives
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Subclass
Pyrazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Pyrazole carboxylic acids and derivatives
Direct Parent
Pyrazole-5-carboxamides
Alternative Parents
Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Aryl bromides Vinylogous halides Heteroaromatic compounds Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazole-5-carboxamide - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Aryl bromide - Heteroaromatic compound - Vinylogous halide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazole-5-carboxamides. These are compounds containing a pyrazole ring that carries a carboxamide group at the 4-position.
External Descriptors
Not available