Structure Information
Structure

Compound Identification

SMILES

CC1(CN[C@H]2CCC([C@H](C2)C#N)N2C=C(C(N)=O)C(NC3=CC=C(Cl)C=C3)=N2)COC1

InChIKey

InChIKey=RXXJVCAEROJGJJ-DMRSJCKZSA-N

Formula

C22H27ClN6O2

Mass

442.95

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrazole-4-carboxamide - Aniline or substituted anilines - Chlorobenzene - Cyclohexylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Oxetane - Carboxylic acid derivative - Oxacycle - Azacycle - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Carbonitrile - Nitrile - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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

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