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 C10H8F2N2S
Molecular Weight 226.25 g/mol
Exact Mass 226.0376 Da
InChI
InChI=1S/C10H8F2N2S/c11-10(12)15-9-8(6-13-14-9)7-4-2-1-3-5-7/h1-6,10H,(H,13,14)
InChIKey
PVISTAOCLUXPEJ-UHFFFAOYSA-N
SMILES
C1=CC=C(C=C1)C2=CNN=C2SC(F)F
Number of Atoms 23
Number of H-Bond Acceptors 2
Number of H-Bond Donors 1
Atoms in the Largest π-System 11
XLogP 3.6
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