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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>18</sub>H<sub>16</sub>N<sub>2</sub>

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Extracted from

Scheme 33

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₈H₁₆N₂
Molecular Weight	260.33 g/mol
Exact Mass	260.1313 Da
InChI	InChI=1S/C18H16N2/c1-3-8-14(9-4-1)18-16-12-7-13-17(16)19-20(18)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKey	ZJBOLGCJEXTJMW-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C2=C3CCCC3=NN2C4=CC=CC=C4
Number of Atoms	36
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	17
XLogP	3.0

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