Compound Identification
SMILES
COC(=O)C1=NNC(C2OCC3OC(C)(C)OC23)=C1I
InChIKey
InChIKey=BQKXQYXSMMRLSV-UHFFFAOYSA-N
Formula
C12H15IN2O5
Mass
394.165
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
Ketals Aryl iodides Vinylogous halides Tetrahydrofurans Methyl esters Heteroaromatic compounds 1,3-dioxolanes Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Ketal - Aryl iodide - Aryl halide - Heteroaromatic compound - Vinylogous halide - Methyl ester - Tetrahydrofuran - Meta-dioxolane - Carboxylic acid ester - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - 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