3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one (CHEBI:183720)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one

ChEBI ID	CHEBI:183720

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H14N2O

Net Charge

Average Mass

154.213

Monoisotopic Mass

154.11061

InChI

InChI=1S/C8H14N2O/c1-8(2,3)6-5-7(11)10(4)9-6/h5H2,1-4H3

InChIKey

QTLHXZDNJCSMMQ-UHFFFAOYSA-N

SMILES

O=C1N(N=C(C(C)(C)C)C1)C

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study

ChEBI Ontology
Outgoing	3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one (CHEBI:183720) is a pyrazoles (CHEBI:26410)

IUPAC Name

5-tert-butyl-2-methyl-4H-pyrazol-3-one