1,5-Dimethyl-1H-pyrazole-4-boronic acid,pinacol ester

Product Information

Molecular Formula:
C11H19BN2O2
Molecular Weight:
222.09
Description
1,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester is an important pharmaceutical intermediate in biomedicine. It is used in the synthesis of pyrazole-containing drugs and has the potential to recommend research into diseases associated with such compounds.
Synonyms
1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1,5-DIMETHYL-1H-PYRAZOLE-4-BORONIC ACID,PINACOL ESTER; 1,5-Dimethyl-1H-pyrazole-4-boronic acid pinacol ester; 1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; MFCD09864189; 1,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 1,5-Dimethylpyrazole-4-boronic Acid Pinacol Ester
IUPAC Name
1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2)C)C
InChI
InChI=1S/C11H19BN2O2/c1-8-9(7-13-14(8)6)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
InChI Key
ZLIQCQOFVHSHPX-UHFFFAOYSA-N
Flash Point
Not applicable

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
222.1539580 g/mol
Monoisotopic Mass
222.1539580 g/mol
Topological Polar Surface Area
36.3Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
267
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
WO-2021165469-A1 2,3,5-substituted pyrrolo[2,3-b]pyridines as erbb modulators useful for treating cancer 2020-02-20
WO-2021165497-A1 2,3,5-substituted pyrrolo[2,3-b]pyridines as erbb modulators useful for treating cancer 2020-02-20
WO-2021160109-A1 Dihydronaphthyridinone compound, and preparation method therefor and medical use thereof 2020-02-13
WO-2021152165-A1 Macrocyclic rip2-kinase inhibitors 2020-01-31
CN-113121528-A Multi-target inhibition compound, composition, functional molecule and application thereof 2020-01-15
WO-2021143729-A1 Compound, composition and functional molecule with multi-target inhibiting effect and use thereof 2020-01-15
WO-2021113263-A1 Crf receptor antagonists and methods of use 2019-12-04
CN-112851668-A ATR inhibitor and application thereof in medicine 2019-11-27
CN-114072402-A Pyridine derivatives as dual FGFR and VEGFR inhibitors 2019-07-26
WO-2020259683-A1 2,4-disubstituted pyrimidine derivative, preparation method for same, and uses thereof 2019-06-28
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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