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 C16H14N2
Molecular Weight 234.30 g/mol
Exact Mass 234.1157 Da
InChI
InChI=1S/C16H14N2/c1-13-16(14-8-4-2-5-9-14)12-17-18(13)15-10-6-3-7-11-15/h2-12H,1H3
InChIKey
IPZSWNJRCFMHAR-UHFFFAOYSA-N
SMILES
CC1=C(C=NN1C2=CC=CC=C2)C3=CC=CC=C3
Number of Atoms 32
Number of H-Bond Acceptors 2
Number of H-Bond Donors 0
Atoms in the Largest π-System 17
XLogP 3.4
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