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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>13</sub>N<sub>3</sub>O

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Extracted from

Scheme 71

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₇H₁₃N₃O
Molecular Weight	275.31 g/mol
Exact Mass	275.1059 Da
InChI	InChI=1S/C17H13N3O/c1-21-16-9-7-13(8-10-16)17-11-15(12-18)20(19-17)14-5-3-2-4-6-14/h2-11H,1H3
InChIKey	DMKSFEKKWTXUFS-UHFFFAOYSA-N
SMILES	COC1=CC=C(C=C1)C2=NN(C3=CC=CC=C3)C(=C2)C#N
Number of Atoms	34
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	20
XLogP	2.0

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