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 C5H9N
Molecular Weight 83.13 g/mol
Exact Mass 83.0735 Da
InChI
InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3
InChIKey
FAGLEPBREOXSAC-UHFFFAOYSA-N
SMILES
CC(C)(C)[N+]#[C-]
Number of Atoms 15
Number of H-Bond Acceptors 0
Number of H-Bond Donors 0
Atoms in the Largest π-System 1
XLogP 0.9
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