EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:41910 - 3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

Default Structure
ChEBI IDCHEBI:41910
ChEBI Name3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Stars
Last Modified2 December 2009
DownloadsMolfile
FormulaC8H12N2O2
Net Charge0
Average Mass168.196
Monoisotopic Mass168.08988
SMILES[H]n1nc(C([H])([H])[H])c(C(=O)OC([H])([H])C([H])([H])[H])c1C([H])([H])[H]
InChIInChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)
InChIKeyBCKARVLFIJPHQU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER (CHEBI:41910) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTERPDBeChem
ethyl 3,5-dimethyl-1H-pyrazole-4-carboxylatePDBeChem
Manual XrefsDatabases
DEEPDBeChem