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

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Extracted from

Scheme 15

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₇H₁₄N₂O
Molecular Weight	262.31 g/mol
Exact Mass	262.1106 Da
InChI	InChI=1S/C17H14N2O/c1-12(20)13-7-9-14(10-8-13)16-11-18-19-17(16)15-5-3-2-4-6-15/h2-11H,1H3,(H,18,19)
InChIKey	NPELGWQJFFMJBB-UHFFFAOYSA-N
SMILES	CC(=O)C1=CC=C(C=C1)C2=CNN=C2C3=CC=CC=C3
Number of Atoms	34
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	19
XLogP	2.8

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