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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

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Chemical structure C<sub>4</sub>H<sub>6</sub>N<sub>2</sub>

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Extracted from

Scheme 8

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₄H₆N₂
Molecular Weight	82.10 g/mol
Exact Mass	82.0531 Da
InChI	InChI=1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3/b4-2-
InChIKey	DELJOESCKJGFML-RQOWECAXSA-N
SMILES	C/C(=C/C#N)/N
Number of Atoms	12
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	5
XLogP	-0.2

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