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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>9</sub>N<sub>3</sub>S

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Extracted from

Scheme 3

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₄H₉N₃S
Molecular Weight	131.20 g/mol
Exact Mass	131.0517 Da
InChI	InChI=1S/C4H9N3S/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
InChIKey	FQUDPIIGGVBZEQ-UHFFFAOYSA-N
SMILES	CC(=NNC(=S)N)C
Number of Atoms	17
Number of H-Bond Acceptors	3
Number of H-Bond Donors	2
Atoms in the Largest π-System	6
XLogP	0.8

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