1,3,5-Trimethyl-4-(tributylstannyl)-1H-pyrazole
Product Information
Molecular Formula
C18H36N2Sn
Molecular Weight
399.20
Description
1,3,5-Trimethyl-4-(tributylstannyl)-1H-pyrazole, a compound defined by its unique organostannane structure. This expertise is typically exemplified in its ability to act as a precursor for pharmaceutical formulations designed specifically for neurological conditions and inflammation's remediation.
Synonyms
1,3,5-Trimethyl-4-(tributylstannyl)-1H-pyrazole, 97%;
IUPAC Name
tributyl-(1,3,5-trimethylpyrazol-4-yl)stannane
SMILES
CCCC[Sn](CCCC)(CCCC)C1=C(N(N=C1C)C)C
InChI
InChI=1S/C6H9N2.3C4H9.Sn/c1-5-4-6(2)8(3)7-53*1-3-4-2/h1-3H33*1,3-4H2,2H3
InChI Key
DHOZVDFJSZWZLJ-UHFFFAOYSA-N
Flash Point
>230 °F
Purity
97%
Density
1.134 g/mL at 25 °C
Safety Information
Hazards
H301-H312-H315-H319-H372-H410
Precautionary Statement
P273-P280-P301 + P310-P305 + P351 + P338-P314-P501
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
10
Exact Mass
400.190052 g/mol
Monoisotopic Mass
400.190052 g/mol
Topological Polar Surface Area
17.8Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
261
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 |
|---|---|---|
| AU-2011247047-A1 | Pyrazolyl quinoxaline kinase inhibitors | 2010-04-30 |
| AU-2011247047-B2 | Pyrazolyl quinoxaline kinase inhibitors | 2010-04-30 |
| AU-2017202512-A1 | Pyrazolyl quinoxaline kinase inhibitors | 2010-04-30 |
| AU-2017202512-B2 | Pyrazolyl quinoxaline kinase inhibitors | 2010-04-30 |
| CA-2796204-A1 | Pyrazolyl quinoxaline kinase inhibitors | 2010-04-30 |
| EA-028599-B1 | PYRAZOLYLKHINOXALINE KINASE INHIBITORS | 2010-04-30 |
| EP-2563775-A1 | Pyrazolyl quinazoline kinase inhibitors | 2010-04-30 |
| EP-2563775-B1 | Pyrazolyl quinoxaline kinase inhibitors | 2010-04-30 |
| EP-3178818-A1 | Pyrazolyl quinoxaline kinase inhibitors | 2010-04-30 |
| EP-3178818-B1 | Pyrazolyl quinoxaline kinase inhibitors | 2010-04-30 |
