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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Pyrazoles
-
Level 5
Pyrazole carboxylic acids and derivatives
- Level 6 Pyrazole-4-carboxamides
-
Level 5
Pyrazole carboxylic acids and derivatives
-
Subclass
Pyrazoles
-
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 Cyclohexylamines Chlorobenzenes Aryl chlorides Imidolactams Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Oxetanes Amino acids and derivatives Oxacyclic compounds Nitriles Azacyclic compounds Dialkylamines Dialkyl ethers Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
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