| Identification | Back Directory | [Name]
3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]- | [CAS]
1919837-50-5 | [Synonyms]
Baricitinib-006
Baricitinib Impurit
Baricitinib Impurity 34
2-[1-ethylsulfonyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
1-(ethylsulfonyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-3-Azetidineacetonitrile
3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]-
2-(1-(Ethylsulfonyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidin-3-yl)acetonitrile
2-[1-(ethanesulfonyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidin-3-yl]acetonitrile | [EINECS(EC#)]
213-152-9 | [Molecular Formula]
C16H25BN4O4S | [MOL File]
1919837-50-5.mol | [Molecular Weight]
380.27 |
| Chemical Properties | Back Directory | [Boiling point ]
572.6±60.0 °C(Predicted) | [density ]
1.27±0.1 g/cm3(Predicted) | [pka]
2.63±0.19(Predicted) | [InChI]
InChI=1S/C16H25BN4O4S/c1-6-26(22,23)20-11-16(12-20,7-8-18)21-10-13(9-19-21)17-24-14(2,3)15(4,5)25-17/h9-10H,6-7,11-12H2,1-5H3 | [InChIKey]
LHTUCYOPHHHUEE-UHFFFAOYSA-N | [SMILES]
N1(S(CC)(=O)=O)CC(N2C=C(B3OC(C)(C)C(C)(C)O3)C=N2)(CC#N)C1 |
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