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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>5</sub>H<sub>6</sub>N<sub>2</sub>

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Extracted from

Scheme 56

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₅H₆N₂
Molecular Weight	94.11 g/mol
Exact Mass	94.0531 Da
InChI	InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2
InChIKey	OSSNTDFYBPYIEC-UHFFFAOYSA-N
SMILES	C=CN1C=CN=C1
Number of Atoms	13
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	7
XLogP	0.7

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