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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>10</sub>H<sub>10</sub>N<sub>2</sub>OS

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Extracted from

Scheme 75

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₀H₁₀N₂OS
Molecular Weight	206.27 g/mol
Exact Mass	206.0514 Da
InChI	InChI=1S/C10H10N2OS/c1-14-10-6-9(11-12-10)7-3-2-4-8(13)5-7/h2-6,13H,1H3,(H,11,12)
InChIKey	PBQJDHGDWIQVDX-UHFFFAOYSA-N
SMILES	CSC1=NNC(=C1)C2=CC(=CC=C2)O
Number of Atoms	24
Number of H-Bond Acceptors	3
Number of H-Bond Donors	2
Atoms in the Largest π-System	12
XLogP	2.1

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