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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>18</sub>N<sub>2</sub>O<sub>4</sub>

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Extracted from

Scheme 7

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₀H₁₈N₂O₄
Molecular Weight	230.26 g/mol
Exact Mass	230.1267 Da
InChI	InChI=1S/C10H18N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3/b12-11+
InChIKey	QKSQWQOAUQFORH-VAWYXSNFSA-N
SMILES	CC(C)(C)OC(=O)/N=N/C(=O)OC(C)(C)C
Number of Atoms	34
Number of H-Bond Acceptors	6
Number of H-Bond Donors	0
Atoms in the Largest π-System	8
XLogP	2.1

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