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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>14</sub>H<sub>16</sub>N<sub>2</sub>O

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Extracted from

Scheme 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₄H₁₆N₂O
Molecular Weight	228.29 g/mol
Exact Mass	228.1263 Da
InChI	InChI=1S/C14H16N2O/c1-17-11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)15-16-14/h6-9H,2-5H2,1H3,(H,15,16)
InChIKey	SKKOHZJNXZCTFG-UHFFFAOYSA-N
SMILES	COC1=CC=C(C=C1)C2=NNC3=C2CCCC3
Number of Atoms	33
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	12
XLogP	2.4

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