CHEBI:74738 - 1-methyl-pyrazole-3-carboxylic acid

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ChEBI Name 1-methyl-pyrazole-3-carboxylic acid
ChEBI ID CHEBI:74738
Definition A member of the class of pyrazoles that is N-methylpyrazole substituted by a carboxy group at position 3.
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/c1-7-3-2-4(6-7)5(8)9/h2-3H,1H3,(H,8,9)
InChIKey YBFIKNNFQIBIQZ-UHFFFAOYSA-N
SMILES Cn1ccc(n1)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.
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ChEBI Ontology
Outgoing 1-methyl-pyrazole-3-carboxylic acid (CHEBI:74738) has functional parent N-methylpyrazole (CHEBI:59025)
1-methyl-pyrazole-3-carboxylic acid (CHEBI:74738) has role metabolite (CHEBI:25212)
1-methyl-pyrazole-3-carboxylic acid (CHEBI:74738) is a monocarboxylic acid (CHEBI:25384)
1-methyl-pyrazole-3-carboxylic acid (CHEBI:74738) is a pyrazoles (CHEBI:26410)
IUPAC Name
1-methyl-1H-pyrazole-3-carboxylic acid
Registry Number Type Source
742406 Reaxys Registry Number Reaxys
Last Modified
03 September 2013