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 C8H5Br
Molecular Weight 181.03 g/mol
Exact Mass 179.9575 Da
InChI
InChI=1S/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
InChIKey
LTLVZQZDXQWLHU-UHFFFAOYSA-N
SMILES
C#CC1=CC=C(C=C1)Br
Number of Atoms 14
Number of H-Bond Acceptors 0
Number of H-Bond Donors 0
Atoms in the Largest π-System 8
XLogP 2.2
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