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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>17</sub>H<sub>16</sub>N<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	C₁₇H₁₆N₂
Molecular Weight	248.32 g/mol
Exact Mass	248.1313 Da
InChI	InChI=1S/C17H16N2/c1-13-8-9-16(12-14(13)2)19-11-10-17(18-19)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKey	GRYHCYFOTVVQOC-UHFFFAOYSA-N
SMILES	CC1=CC=C(C=C1C)N2C=CC(=N2)C3=CC=CC=C3
Number of Atoms	35
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	17
XLogP	3.5

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