1,3-Dimethylpyrazole-5-boronic Acid Pinacol Ester - CAS 847818-79-5
Catalog: |
BB037311 |
Product Name: |
1,3-Dimethylpyrazole-5-boronic Acid Pinacol Ester |
CAS: |
847818-79-5 |
Synonyms: |
1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1,3-Dimethylpyrazole-5-boronic Acid Pinacol Ester (CAS# 847818-79-5) is a useful research chemical. |
Molecular Weight: | 222.09 |
Molecular Formula: | C11H19N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN2C)C |
InChI: | InChI=1S/C11H19BN2O2/c1-8-7-9(14(6)13-8)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3 |
InChI Key: | WZHOBXRNVCZJGB-UHFFFAOYSA-N |
Boiling Point: | 326.7 °C at 760 mmHg |
Density: | 1.04 g/cm3 |
MDL: | MFCD05664574 |
LogP: | 1.02770 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113121528-A | Multi-target inhibition compound, composition, functional molecule and application thereof | 20200115 |
WO-2021143729-A1 | Compound, composition and functional molecule with multi-target inhibiting effect and use thereof | 20200115 |
WO-2021057256-A1 | Heterocyclic nitrogen compound, pharmaceutical composition containing same, preparation method therefor and use thereof | 20190929 |
WO-2020247475-A1 | Imidazo[1,2-c]pyrimidine derivatives as prc2 inhibitors for treating cancer | 20190605 |
WO-2020219448-A1 | Naphthyridine derivatives as prc2 inhibitors | 20190422 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.1539580 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.1539580 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Boronic Acids and Esters
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