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 C10H7N3
Molecular Weight 169.18 g/mol
Exact Mass 169.0640 Da
InChI
InChI=1S/C10H7N3/c11-7-8-1-3-9(4-2-8)10-5-6-12-13-10/h1-6H,(H,12,13)
InChIKey
KBVIWLGAVURNLR-UHFFFAOYSA-N
SMILES
C1=CC(=CC=C1C#N)C2=CC=NN2
Number of Atoms 20
Number of H-Bond Acceptors 3
Number of H-Bond Donors 1
Atoms in the Largest π-System 13
XLogP 1.1
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