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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>16</sub>H<sub>12</sub>F<sub>3</sub>N<sub>2</sub>OP

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Extracted from

Scheme 67

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₆H₁₂F₃N₂OP
Molecular Weight	336.25 g/mol
Exact Mass	336.0639 Da
InChI	InChI=1S/C16H12F3N2OP/c17-16(18,19)14-11-15(21-20-14)23(22,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H,(H,20,21)
InChIKey	MEZYBSYUJSPATQ-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC(=NN3)C(F)(F)F
Number of Atoms	35
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	19
XLogP	2.7

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