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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>9</sub>F<sub>3</sub>N<sub>2</sub>O

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Extracted from

Scheme 67

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₂H₉F₃N₂O
Molecular Weight	254.21 g/mol
Exact Mass	254.0667 Da
InChI	InChI=1S/C12H9F3N2O/c13-12(14,15)11-7-9(16-17-11)10(18)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,17)
InChIKey	FRQCFLSERNIAMQ-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)CC(=O)C2=CC(=NN2)C(F)(F)F
Number of Atoms	27
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	7
XLogP	2.9

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