2F6

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Summary

Name:1',3'-dimethyl-1H,1'H-3,4'-bipyrazole
Formula:C8 H10 N4
Formal charge:0
Molecular weight:162.192 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011',3'-dimethyl-1H,1'H-3,4'-bipyrazole
OpenEye OEToolkits1.9.21,3-dimethyl-4-(1H-pyrazol-3-yl)pyrazole

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1n(cc(c1C)c2nncc2)C
InChIInChI1.03InChI=1S/C8H10N4/c1-6-7(5-12(2)11-6)8-3-4-9-10-8/h3-5H,1-2H3,(H,9,10)
InChIKeyInChI1.03LNJKDWJFZASOPC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1cc(c(C)n1)c2cc[nH]n2
SMILESCACTVS3.385Cn1cc(c(C)n1)c2cc[nH]n2
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1c(cn(n1)C)c2cc[nH]n2
SMILESOpenEye OEToolkits1.9.2Cc1c(cn(n1)C)c2cc[nH]n2
167327
PDB entries from 2020-08-05