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 C11H11FN2
Molecular Weight 190.22 g/mol
Exact Mass 190.0906 Da
InChI
InChI=1S/C11H11FN2/c1-8-7-9(2)14(13-8)11-5-3-10(12)4-6-11/h3-7H,1-2H3
InChIKey
ZIJUTMPYXMDKLO-UHFFFAOYSA-N
SMILES
CC1=NN(C(=C1)C)C2=CC=C(C=C2)F
Number of Atoms 25
Number of H-Bond Acceptors 2
Number of H-Bond Donors 0
Atoms in the Largest π-System 11
XLogP 1.8
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