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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>18</sub>H<sub>15</sub>F<sub>3</sub>N<sub>2</sub>O

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Extracted from

Scheme 39

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₈H₁₅F₃N₂O
Molecular Weight	332.32 g/mol
Exact Mass	332.1136 Da
InChI	InChI=1S/C18H15F3N2O/c1-23-17(13-5-9-15(24-2)10-6-13)11-16(22-23)12-3-7-14(8-4-12)18(19,20)21/h3-11H,1-2H3
InChIKey	VXKLYLDCLNLIGG-UHFFFAOYSA-N
SMILES	CN1C(=CC(=N1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)OC
Number of Atoms	39
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	18
XLogP	3.0

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