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 C12H7ClO2
Molecular Weight 218.64 g/mol
Exact Mass 218.0135 Da
InChI
InChI=1S/C12H7ClO2/c13-12(15)11(14)10-7-6-8-4-2-1-3-5-9(8)10/h1-7H
InChIKey
VSNMSBDRFSNUPY-UHFFFAOYSA-N
SMILES
C1=CC=C2C(=CC=C2C(=O)C(=O)Cl)C=C1
Number of Atoms 22
Number of H-Bond Acceptors 2
Number of H-Bond Donors 0
Atoms in the Largest π-System 14
XLogP 2.4
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