1-(Methylsulfonyl)-1H-pyrazole-4-boronic Acid Pinacol Ester - CAS 944994-03-0
Catalog: |
BB041391 |
Product Name: |
1-(Methylsulfonyl)-1H-pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
944994-03-0 |
Synonyms: |
1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-(Methylsulfonyl)-1H-pyrazole-4-boronic Acid Pinacol Ester (CAS# 944994-03-0) is a useful research chemical. |
Molecular Weight: | 272.13 |
Molecular Formula: | C10H17N2O4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)S(=O)(=O)C |
InChI: | InChI=1S/C10H17BN2O4S/c1-9(2)10(3,4)17-11(16-9)8-6-12-13(7-8)18(5,14)15/h6-7H,1-5H3 |
InChI Key: | ZQRLNZRJGJLYPX-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.07080 |
Publication Number | Title | Priority Date |
TW-202045498-A | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
US-2021261535-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 20190215 |
US-2021253571-A1 | Azaindole derivative and use thereof as fgfr and c-met inhibitor | 20180719 |
US-2011212053-A1 | Phosphatidylinositol 3 kinase inhibitors | 20080619 |
AU-2007206860-A1 | Thiazole derivatives and use thereof | 20060123 |
Complexity: | 416 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.1002084 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.1002084 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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