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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>13</sub>H<sub>15</sub>N<sub>2</sub>O<sub>3</sub>P

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Extracted from

Scheme 66

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₃H₁₅N₂O₃P
Molecular Weight	278.24 g/mol
Exact Mass	278.0820 Da
InChI	InChI=1S/C13H15N2O3P/c1-4-11-12(10-8-6-5-7-9-10)13(15-14-11)19(16,17-2)18-3/h4-9H,1H2,2-3H3,(H,14,15)
InChIKey	DFDRELDJCBRQHA-UHFFFAOYSA-N
SMILES	C=CC1=C(C2=CC=CC=C2)C(=NN1)P(=O)(OC)OC
Number of Atoms	34
Number of H-Bond Acceptors	5
Number of H-Bond Donors	1
Atoms in the Largest π-System	17
XLogP	2.5

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