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CHEBI:74739 - 5-methyl-pyrazole-3-carboxylic acid

ChEBI IDCHEBI:74739
ChEBI Name5-methyl-pyrazole-3-carboxylic acid
Stars
DefinitionA memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively.
Last Modified3 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC5H6N2O2
Net Charge0
Average Mass126.115
Monoisotopic Mass126.04293
SMILESCc1cc(C(=O)O)nn1
InChIInChI=1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9)
InChIKeyWSMQKESQZFQMFW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5-methyl-pyrazole-3-carboxylic acid (CHEBI:74739) has parent hydride 1H-pyrazole (CHEBI:17241)
5-methyl-pyrazole-3-carboxylic acid (CHEBI:74739) has role metabolite (CHEBI:25212)
5-methyl-pyrazole-3-carboxylic acid (CHEBI:74739) is a monocarboxylic acid (CHEBI:25384)
5-methyl-pyrazole-3-carboxylic acid (CHEBI:74739) is a pyrazoles (CHEBI:26410)
IUPAC Name 
5-methyl-1H-pyrazole-3-carboxylic acid
Registry NumbersSources
Reaxys:2906Reaxys
CAS:402-61-9ChemIDplus