RefMet Compound Details

MW structure43426 (View MW Metabolite Database details)
RefMet nameFomepizole
Systematic name4-methyl-1H-pyrazole
SMILESCc1c[nH]nc1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass82.053098 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC4H6N2View other entries in RefMet with this formula
InChIInChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)
InChIKeyRIKMMFOAQPJVMX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassAzoles
Sub ClassPyrazoles
Pubchem CID3406
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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