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 C3H6O2
Molecular Weight 74.08 g/mol
Exact Mass 74.0368 Da
InChI
InChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3
InChIKey
WBJINCZRORDGAQ-UHFFFAOYSA-N
SMILES
CCOC([H])=O
Number of Atoms 11
Number of H-Bond Acceptors 2
Number of H-Bond Donors 0
Atoms in the Largest π-System 3
XLogP 0.4
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