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 C9H13F3N2OSi
Molecular Weight 250.29 g/mol
Exact Mass 250.0749 Da
InChI
InChI=1S/C9H13F3N2OSi/c1-5(15)6-7(9(10,11)12)13-14-8(6)16(2,3)4/h1-4H3,(H,13,14)
InChIKey
HKFYPFZVONFCQO-UHFFFAOYSA-N
SMILES
CC(=O)C1=C(NN=C1C(F)(F)F)[Si](C)(C)C
Number of Atoms 29
Number of H-Bond Acceptors 3
Number of H-Bond Donors 1
Atoms in the Largest π-System 7
XLogP 3.4
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