Compound Identification
SMILES
COCCN(C(=O)C1CCC(C)CC1)C1=C(SC(=C1)C1=CC=C(C=C1)C1=NN2C(=C1)N=CC=C2N)C(O)=O
InChIKey
InChIKey=OGNFSOIVZVPQMR-UHFFFAOYSA-N
Formula
C28H31N5O4S
Mass
533.65
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Pyrazoles
- Level 5 Phenylpyrazoles
-
Subclass
Pyrazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Pyrazolo[1,5-a]pyrimidines 2,3,5-trisubstituted thiophenes Thiophene carboxylic acids Aminopyrimidines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Amino acids Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiophene - Vinylogous amide - Amino acid - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary amine - 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