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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>15</sub>H<sub>18</sub>N<sub>2</sub>O<sub>2</sub>S

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Extracted from

Scheme 9

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₁₈N₂O₂S
Molecular Weight	290.38 g/mol
Exact Mass	290.1089 Da
InChI	InChI=1S/C15H18N2O2S/c1-5-6-15-12(3)16-17(13(15)4)20(18,19)14-9-7-11(2)8-10-14/h5,7-10H,1,6H2,2-4H3
InChIKey	OLHRMHIPFXILTO-UHFFFAOYSA-N
SMILES	C=CCC1=C(C)N(N=C1C)S(=O)(=O)C2=CC=C(C)C=C2
Number of Atoms	38
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	14
XLogP	2.5

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