CHEBI:74742 - 3-methyl-pyrazole-4-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-methyl-pyrazole-4-carboxylic acid
ChEBI ID CHEBI:74742
Definition A member of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 3 and 4 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/c1-3-4(5(8)9)2-6-7-3/h2H,1H3,(H,6,7)(H,8,9)
InChIKey HLYYXPDTFLUERX-UHFFFAOYSA-N
SMILES Cc1n[nH]cc1C(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 3-methyl-pyrazole-4-carboxylic acid (CHEBI:74742) has parent hydride 1H-pyrazole (CHEBI:17241)
3-methyl-pyrazole-4-carboxylic acid (CHEBI:74742) has role metabolite (CHEBI:25212)
3-methyl-pyrazole-4-carboxylic acid (CHEBI:74742) is a monocarboxylic acid (CHEBI:25384)
3-methyl-pyrazole-4-carboxylic acid (CHEBI:74742) is a pyrazoles (CHEBI:26410)
IUPAC Name
3-methyl-1H-pyrazole-4-carboxylic acid
Registry Number Type Source
2909 Reaxys Registry Number Reaxys
Last Modified
03 September 2013