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 C7H5N
Molecular Weight 103.12 g/mol
Exact Mass 103.0422 Da
InChI
InChI=1S/C7H5N/c1-2-7-4-3-5-8-6-7/h1,3-6H
InChIKey
CLRPXACRDTXENY-UHFFFAOYSA-N
SMILES
C#CC1=CC=CN=C1
Number of Atoms 13
Number of H-Bond Acceptors 1
Number of H-Bond Donors 0
Atoms in the Largest π-System 8
XLogP 0.4
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