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ChEBI
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CHEBI:74742 - 3-methyl-pyrazole-4-carboxylic acid
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ChEBI Ontology
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ChEBI Name
3-methyl-pyrazole-4-carboxylic acid
ChEBI ID
CHEBI:74742
Definition
A member of the class of pyrazoles that is 1
H
-pyrazole with methyl and carboxylic acid group substituents at positions 3 and 4 respectively.
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This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted 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
1
H
-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-1
H
-pyrazole-4-carboxylic acid
Registry Number
Type
Source
2909
Reaxys Registry Number
Reaxys
Last Modified
03 September 2013