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 C9H5IO2
Molecular Weight 272.04 g/mol
Exact Mass 271.9334 Da
InChI
InChI=1S/C9H5IO2/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H
InChIKey
SZDBDDKQJHHRGH-UHFFFAOYSA-N
SMILES
C1=CC2=C(C=C1)OC=C(C2=O)I
Number of Atoms 17
Number of H-Bond Acceptors 2
Number of H-Bond Donors 0
Atoms in the Largest π-System 11
XLogP 2.0
Zoomed SVG