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 C10H9ClN2S
Molecular Weight 224.71 g/mol
Exact Mass 224.0175 Da
InChI
InChI=1S/C10H9ClN2S/c1-14-10-6-9(12-13-10)7-4-2-3-5-8(7)11/h2-6H,1H3,(H,12,13)
InChIKey
ZUJCPKQCQMVNPG-UHFFFAOYSA-N
SMILES
CSC1=NNC(=C1)C2=C(C=CC=C2)Cl
Number of Atoms 23
Number of H-Bond Acceptors 2
Number of H-Bond Donors 1
Atoms in the Largest π-System 11
XLogP 2.9
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