1-Isopropyl-4-pyrazoleboronic Acid - CAS 1201643-90-4
Catalog: |
BB004740 |
Product Name: |
1-Isopropyl-4-pyrazoleboronic Acid |
CAS: |
1201643-90-4 |
Synonyms: |
(1-propan-2-yl-4-pyrazolyl)boronic acid; (1-propan-2-ylpyrazol-4-yl)boronic acid |
IUPAC Name: | (1-propan-2-ylpyrazol-4-yl)boronic acid |
Description: | 1-Isopropyl-4-pyrazoleboronic Acid (CAS# 1201643-90-4) is a useful research chemical. |
Molecular Weight: | 153.97 |
Molecular Formula: | C6H11N2O2B |
Canonical SMILES: | B(C1=CN(N=C1)C(C)C)(O)O |
InChI: | InChI=1S/C6H11BN2O2/c1-5(2)9-4-6(3-8-9)7(10)11/h3-5,10-11H,1-2H3 |
InChI Key: | VLVZNLMUFJYZDG-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, Store in freezer, under -20 °C |
LogP: | -0.85620 |
Publication Number | Title | Priority Date |
US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 20200115 |
WO-2021007477-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20190711 |
WO-2020121261-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
CN-113330001-A | 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same | 20181214 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0913578 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0913578 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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