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 C9H4O3
Molecular Weight 160.13 g/mol
Exact Mass 160.0160 Da
InChI
InChI=1S/C9H4O3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4H
InChIKey
WVZWEMOFSIEEMU-UHFFFAOYSA-N
SMILES
C1=CC2=C(C=C1)C(=O)C(=O)C2=O
Number of Atoms 16
Number of H-Bond Acceptors 3
Number of H-Bond Donors 0
Atoms in the Largest π-System 12
XLogP -0.2
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