Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)[C@@H]1C[C@@H](N2N=CC(=C3NN4C=NC5=C(C=NN5C5=CC=CC=C5)C4=N3)C2=N1)C(F)(F)F

InChIKey

InChIKey=WUABRQSYANVKMU-LEWJYISDSA-N

Formula

C26H20F3N9O

Mass

531.503

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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

Pyrazolopyrimidines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Imidolactams Triazolines Heteroaromatic compounds Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Formamidines Hydrocarbon derivatives Alkyl fluorides Organofluorides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylpyrazole - Pyrazolopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Triazoline - Carboxylic acid amidrazone - Propargyl-type 1,3-dipolar organic compound - Azacycle - Amidine - Organic 1,3-dipolar compound - Formamidine - Ether - Alkyl halide - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl fluoride - 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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