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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>15</sub>N<sub>3</sub>O

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Extracted from

Scheme 37

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₈H₁₅N₃O
Molecular Weight	289.33 g/mol
Exact Mass	289.1215 Da
InChI	InChI=1S/C18H15N3O/c1-21-18(15-5-3-13(12-19)4-6-15)11-17(20-21)14-7-9-16(22-2)10-8-14/h3-11H,1-2H3
InChIKey	DCAXEAFXKIJYEA-UHFFFAOYSA-N
SMILES	CN1C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C#N
Number of Atoms	37
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	20
XLogP	1.7

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