Structure Information
Structure

Compound Identification

SMILES

C[C@@H](CN1C=CC(=N1)C1=CC(F)=C(C#N)C(Cl)=C1)NC(=O)C1=CN2CCC(=O)N=C2N1

InChIKey

InChIKey=SFIWQNSBWANCAW-NSHDSACASA-N

Formula

C20H17ClFN7O2

Mass

441.85

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Pyrazoles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrazoles

Alternative Parents

Alpha amino acids and derivatives Pyrimidinecarboxamides Benzonitriles Pyrimidones Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Hydropyrimidines Vinylogous amides Imidazolines Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides N-acylimines Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Nitriles Enamines Carbonyl compounds Organochlorides Organofluorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylpyrazole - Alpha-amino acid or derivatives - Pyrimidinecarboxamide - Benzonitrile - Halobenzene - Fluorobenzene - Pyrimidone - Chlorobenzene - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Pyrimidine - Monocyclic benzene moiety - Benzenoid - 4-imidazoline - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Tertiary amine - N-acylimine - Amino acid or derivatives - Guanidine - Carboxamide group - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboximidamide - Enamine - Nitrile - Carbonitrile - Cyanide - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic 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

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