Compound Identification
SMILES
CNC1CCC(C#N)C(C1)N1C=C(C(N)=O)C(NC2=CC=C(F)C=C2)=N1
InChIKey
InChIKey=GBRUABPSUHZGDN-UHFFFAOYSA-N
Formula
C18H21FN6O
Mass
356.405
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-4-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-4-carboxamides
Alternative Parents
Aniline and substituted anilines Fluorobenzenes Cyclohexylamines Aryl fluorides Imidolactams Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Nitriles Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazole-4-carboxamide - Aniline or substituted anilines - Cyclohexylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Secondary amine - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Cyanide - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazole-4-carboxamides. These are compounds containing a pyrazole ring that carries a carboxamide group at the 4-position.
External Descriptors
Not available