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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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