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 C9H7ClN2
Molecular Weight 178.62 g/mol
Exact Mass 178.0298 Da
InChI
InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H,(H,11,12)
InChIKey
HLCXWJKNVWWWOF-UHFFFAOYSA-N
SMILES
C1=CC(=CC=C1C2=CC=NN2)Cl
Number of Atoms 19
Number of H-Bond Acceptors 2
Number of H-Bond Donors 1
Atoms in the Largest π-System 11
XLogP 2.0
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