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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 CH<sub>5</sub>N<sub>3</sub>S

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Extracted from

Scheme 12

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	CH₅N₃S
Molecular Weight	91.14 g/mol
Exact Mass	91.0204 Da
InChI	InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)
InChIKey	BRWIZMBXBAOCCF-UHFFFAOYSA-N
SMILES	C(=S)(N)NN
Number of Atoms	10
Number of H-Bond Acceptors	3
Number of H-Bond Donors	3
Atoms in the Largest π-System	5
XLogP	-1.2

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