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 C5H13NO2
Molecular Weight 119.16 g/mol
Exact Mass 119.0946 Da
InChI
InChI=1S/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H3
InChIKey
ZSXGLVDWWRXATF-UHFFFAOYSA-N
SMILES
CN(C)C(OC)OC
Number of Atoms 21
Number of H-Bond Acceptors 3
Number of H-Bond Donors 0
Atoms in the Largest π-System 0
XLogP 0.0
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