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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>11</sub>H<sub>12</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	C₁₁H₁₂N₂OS
Molecular Weight	220.29 g/mol
Exact Mass	220.0670 Da
InChI	InChI=1S/C11H12N2OS/c1-14-9-5-3-8(4-6-9)10-7-11(15-2)13-12-10/h3-7H,1-2H3,(H,12,13)
InChIKey	MIISHAVOZVTBNS-UHFFFAOYSA-N
SMILES	COC1=CC=C(C=C1)C2=CC(=NN2)SC
Number of Atoms	27
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	12
XLogP	2.4

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