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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>19</sub>H<sub>17</sub>FN<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	C₁₉H₁₇FN₂O₂
Molecular Weight	324.35 g/mol
Exact Mass	324.1274 Da
InChI	InChI=1S/C19H17FN2O2/c1-12-9-10-16(20)15(11-12)18-17(19(23)24-3)13(2)22(21-18)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKey	YCKMHOAWJZXRMW-UHFFFAOYSA-N
SMILES	CC1=CC=C(C(=C1)C2=NN(C(=C2C(=O)OC)C)C3=CC=CC=C3)F
Number of Atoms	41
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	20
XLogP	2.9

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