Compound Identification
SMILES
COC(=O)C1=NN2CCCN(CCC3=CC=NC=C3)C(=O)C2=C1
InChIKey
InChIKey=ALCIUYFVAVWAER-UHFFFAOYSA-N
Formula
C16H18N4O3
Mass
314.345
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazole carboxylic acids and derivatives
Alternative Parents
2-heteroaryl carboxamides Pyridines and derivatives Tertiary carboxylic acid amides Methyl esters Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-heteroaryl carboxamide - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Pyridine - Tertiary carboxylic acid amide - Methyl ester - Heteroaromatic compound - Carboxamide group - Lactam - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
External Descriptors
Not available