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CHEBI:74741 - 1-methyl-pyrazole-4-carboxylic acid

ChEBI IDCHEBI:74741
ChEBI Name1-methyl-pyrazole-4-carboxylic acid
Stars
DefinitionA member of the class of pyrazoles that is N-methylpyrazole substituted by a carboxy group at position 4.
Last Modified3 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC5H6N2O2
Net Charge0
Average Mass126.115
Monoisotopic Mass126.04293
SMILESCn1cc(C(=O)O)cn1
InChIInChI=1S/C5H6N2O2/c1-7-3-4(2-6-7)5(8)9/h2-3H,1H3,(H,8,9)
InChIKeyUPPPWUOZCSMDTR-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)
1-methyl-pyrazole-4-carboxylic acid (CHEBI:74741) has functional parent N-methylpyrazole (CHEBI:59025)
1-methyl-pyrazole-4-carboxylic acid (CHEBI:74741) has role metabolite (CHEBI:25212)
1-methyl-pyrazole-4-carboxylic acid (CHEBI:74741) is a monocarboxylic acid (CHEBI:25384)
1-methyl-pyrazole-4-carboxylic acid (CHEBI:74741) is a pyrazoles (CHEBI:26410)
IUPAC Name 
1-methyl-1H-pyrazole-4-carboxylic acid
Registry NumbersSources
Reaxys:114153Reaxys