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 C7H7F3N2O2
Molecular Weight 208.14 g/mol
Exact Mass 208.0460 Da
InChI
InChI=1S/C7H7F3N2O2/c1-4-2-5(12-11-4)6(13)14-3-7(8,9)10/h2H,3H2,1H3,(H,11,12)
InChIKey
UIQFDTWGARYKRZ-UHFFFAOYSA-N
SMILES
CC1=NNC(=C1)C(=O)OCC(F)(F)F
Number of Atoms 21
Number of H-Bond Acceptors 4
Number of H-Bond Donors 1
Atoms in the Largest π-System 8
XLogP 2.3
Zoomed SVG