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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>N<sub>2</sub>O<sub>2</sub>

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Extracted from

Scheme 83

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₆H₁₂N₂O₂
Molecular Weight	264.28 g/mol
Exact Mass	264.0899 Da
InChI	InChI=1S/C16H12N2O2/c1-2-4-13(5-3-1)18-9-8-14(17-18)12-6-7-15-16(10-12)20-11-19-15/h1-10H,11H2
InChIKey	SZYXRLNGUOIHPR-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)N2C=CC(=N2)C3=CC=C4C(=C3)OCO4
Number of Atoms	32
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	19
XLogP	2.2

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