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

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ChEBI Name 5-methyl-pyrazole-3-carboxylic acid
ChEBI ID CHEBI:74739
Definition A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C5H6N2O2
Net Charge 0
Average Mass 126.11330
Monoisotopic Mass 126.04293
InChI InChI=1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9)
InChIKey WSMQKESQZFQMFW-UHFFFAOYSA-N
SMILES Cc1cc(n[nH]1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Numbers Types Sources
2906 Reaxys Registry Number Reaxys
402-61-9 CAS Registry Number ChemIDplus
Last Modified
03 September 2013