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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>20</sub>H<sub>17</sub>F<sub>3</sub>N<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 21

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₀H₁₇F₃N₂O₂
Molecular Weight	374.36 g/mol
Exact Mass	374.1242 Da
InChI	InChI=1S/C20H17F3N2O2/c1-3-27-19(26)17-13(2)25(16-7-5-4-6-8-16)24-18(17)14-9-11-15(12-10-14)20(21,22)23/h4-12H,3H2,1-2H3
InChIKey	SUKHRYFUSRDYQM-UHFFFAOYSA-N
SMILES	CCOC(=O)C1=C(C)N(C2=CC=CC=C2)N=C1C3=CC=C(C=C3)C(F)(F)F
Number of Atoms	44
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	20
XLogP	3.5

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