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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>12</sub>H<sub>15</sub>F<sub>5</sub>N<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 30

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₂H₁₅F₅N₂O₂
Molecular Weight	314.25 g/mol
Exact Mass	314.1054 Da
InChI	InChI=1S/C12H15F5N2O2/c1-5-21-10(20)6-7(9(13)14)18-19(11(2,3)4)8(6)12(15,16)17/h9H,5H2,1-4H3
InChIKey	MXFCTMHAYNZOJK-UHFFFAOYSA-N
SMILES	CCOC(=O)C1=C(C(F)(F)F)N(C(C)(C)C)N=C1C(F)F
Number of Atoms	36
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	8
XLogP	3.7

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