1-Methylpyrazole-5-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C10H17N2O2B
Molecular Weight
208.07
Description
Reagent used for the stereoselective preparation of N-[1-(cyanomethylaminocarbonyl)-2-arylethyl]arylamides used as Cathepsin inhibitors.
Synonyms
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
IUPAC Name
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C
InChI
InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-7-12-13(8)5/h6-7H,1-5H3
InChI Key
HLXOVAMYQUFLPE-UHFFFAOYSA-N
Boiling Point
355 °C at 760 mmHg
Melting Point
67-71 °C
Flash Point
Not applicable
Purity
97 %
Density
1.06 g/cm3
LogP
0.71930
Safety Information
Hazards
H302 - H315 - H319 - H335
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
208.1383080 g/mol
Monoisotopic Mass
208.1383080 g/mol
Topological Polar Surface Area
36.3Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
242
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 |
| CN-114195799-A | Pyrazine derivative and application thereof in inhibition of SHP2 | 2020-09-02 |
| WO-2022028598-A1 | Atr inhibitors and uses thereof | 2020-08-07 |
| WO-2022002243-A1 | Imidazopyrimidine derivative, preparation method therefor and medical use thereof | 2020-07-02 |
| WO-2021263278-A1 | Rev-erb agonists for the treatment of th17-mediated inflammatory disorders | 2020-06-23 |
| US-2021393812-A1 | Heterocyclic compounds and imaging agents for imaging huntingtin protein | 2020-06-11 |
| WO-2021249463-A1 | Bicyclic compound and application thereof | 2020-06-11 |
| WO-2021252775-A1 | Heterocyclic compounds and imaging agents for imaging huntingtin protein | 2020-06-11 |
| WO-2021239743-A1 | Il-17a modulators | 2020-05-27 |
| WO-2021239745-A1 | Il-17a modulators | 2020-05-27 |
