Multicomponent syntheses of pyrazoles via (3 + 2)-cyclocondensation and (3 + 2)-cycloaddition key steps

Ignaz Betcke, Alissa C. Götzinger, Maryna M. Kornet and Thomas J. J. Müller
Beilstein J. Org. Chem. 2024, 20, 2024–2077. https://doi.org/10.3762/bjoc.20.178

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C6H8N2
Molecular Weight 108.14 g/mol
Exact Mass 108.0687 Da
InChI
InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
InChIKey
HKOOXMFOFWEVGF-UHFFFAOYSA-N
SMILES
C1=CC=C(C=C1)NN
Number of Atoms 16
Number of H-Bond Acceptors 2
Number of H-Bond Donors 2
Atoms in the Largest π-System 8
XLogP 0.1
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