1-Cyclopropylpyrazole-4-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C12H19N2O2B
Molecular Weight
234.10
Description
1-Cyclopropylpyrazole-4-boronic Acid Pinacol Ester (CAS# 1151802-22-0) is a triazolopyridazine compound with the potential to be used in the treatment of cancer, acting as an c-Met kinase inhibitor.
Synonyms
1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
IUPAC Name
1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CC3
InChI
InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10/h7-8,10H,5-6H2,1-4H3
InChI Key
NLWYVKHISUTBMY-UHFFFAOYSA-N
Flash Point
Not applicable
Appearance
Solid
Storage
Keep in dark place, Sealed in dry, Room Temperature
LogP
1.51720
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
234.1539580 g/mol
Monoisotopic Mass
234.1539580 g/mol
Topological Polar Surface Area
36.3Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
302
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114181199-A | 2, 4-disubstituted pyrimidine derivative and preparation method and application thereof | 2020-09-15 |
| WO-2022043576-A2 | Pesticidally active heterocyclic derivatives with sulfur containing substituents | 2020-08-31 |
| CN-112010860-A | Benzyloxypyrazolopyrimidine compounds, pharmaceutical compositions and uses thereof | 2020-08-05 |
| WO-2022031928-A1 | Salt inducible kinase inhibitors | 2020-08-05 |
| CN-113278022-A | Pyrazolopyrimidine compounds, pharmaceutical compositions and uses thereof | 2020-07-07 |
| WO-2021260110-A1 | Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment, amelioration or prevention of fibrotic disease | 2020-06-25 |
| US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 2019-12-04 |
| WO-2021113479-A1 | Tricyclic heterocycles as fgfr inhibitors | 2019-12-04 |
| WO-2021084500-A1 | Fluorinated quinoline and quinoxaline derivatives as dihydroorotate dehydrogenase (dhodh) inhibitors for the treatment of cancer, autoimmune and inflammatory diseases | 2019-11-01 |
| US-2021106588-A1 | Bicyclic heterocycles as fgfr inhibitors | 2019-10-14 |
