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CHEBI:39958 - 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

Default Structure
ChEBI IDCHEBI:39958
ChEBI Name3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H17N2O2
Net Charge+1
Average Mass245.302
Monoisotopic Mass245.12845
SMILES[H]c1c([H])c([H])c(-n2c(C([H])([H])[H])c(C(=O)OC([H])([H])C([H])([H])[H])c(C([H])([H])[H])[n+]2[H])c([H])c1[H]
InChIInChI=1S/C14H16N2O2/c1-4-18-14(17)13-10(2)15-16(11(13)3)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3/p+1
InChIKeyBUIZDUYEIRRDAV-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER (CHEBI:39958) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTERPDBeChem
4-(ethoxycarbonyl)-3,5-dimethyl-1-phenyl-1H-pyrazol-2-iumPDBeChem
Manual XrefsDatabases
3DEPDBeChem