Compound Identification
SMILES
COC1=CC=CC(=C1)C(C)NC(=O)C1=NN(C(CC[C@@H](O)C[C@@H](O)CC(O)=O)=C1C(C)C)C1=CC=C(F)C=C1
InChIKey
InChIKey=MRBDNMFZZOITEF-YMDSNFKLSA-N
Formula
C29H36FN3O6
Mass
541.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Pyrazoles
- Level 5 Phenylpyrazoles
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Subclass
Pyrazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Methoxybenzenes Anisoles 2-heteroaryl carboxamides Phenoxy compounds Pyrazole-5-carboxamides Beta hydroxy acids and derivatives Hydroxy fatty acids Heterocyclic fatty acids Alkyl aryl ethers Fluorobenzenes Halogenated fatty acids Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Medium-chain hydroxy acid - 2-heteroaryl carboxamide - Phenoxy compound - Anisole - Phenol ether - Pyrazole-5-carboxamide - Medium-chain fatty acid - Methoxybenzene - Heterocyclic fatty acid - Hydroxy fatty acid - Alkyl aryl ether - Halogenated fatty acid - Halobenzene - Fluorobenzene - Beta-hydroxy acid - Aryl halide - Aryl fluoride - Hydroxy acid - Benzenoid - Fatty acid - Fatty acyl - Monocyclic benzene moiety - Heteroaromatic compound - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic 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