trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane

C16H28BF3N2O3Si — CID 140874624

IUPACtrimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2cn(COCC[Si](C)(C)C)nc2C(F)(F)F)OC1(C)C
InChIInChI=1S/C16H28BF3N2O3Si/c1-14(2)15(3,4)25-17(24-14)12-10-22(21-13(12)16(18,19)20)11-23-8-9-26(5,6)7/h10H,8-9,11H2,1-7H3
InChIKeyWZICEFMUXFWSLS-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.51
Rot. Bonds6

About trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane (PubChem CID 140874624) has the molecular formula C16H28BF3N2O3Si and a molecular weight of 392.30 g/mol. Its IUPAC name is trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane
PubChem CID140874624
Molecular FormulaC16H28BF3N2O3Si
Molecular Weight392.30 g/mol
Exact Mass392.19
IUPAC Nametrimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2cn(COCC[Si](C)(C)C)nc2C(F)(F)F)OC1(C)C
InChIInChI=1S/C16H28BF3N2O3Si/c1-14(2)15(3,4)25-17(24-14)12-10-22(21-13(12)16(18,19)20)11-23-8-9-26(5,6)7/h10H,8-9,11H2,1-7H3
InChIKeyWZICEFMUXFWSLS-UHFFFAOYSA-N
XLogP3.51
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 42647313
1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 46738012
1,3-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 42647316
1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 77230815
1-ethyl-3-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 79661470
5-(difluoromethyl)-1-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 137963792
3-(difluoromethyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 155970721
(3-Hydroxy-2,3-dimethylbutan-2-yl)oxy-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]borinic acid
CID 66855713
1-Propan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole
CID 90162207
3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1h-pyrazole
CID 123802118
1-(2,2-Difluoroethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 123988427
5-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1h-pyrazole
CID 130053635

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane (CID 140874624) is trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane is CC1(C)OB(c2cn(COCC[Si](C)(C)C)nc2C(F)(F)F)OC1(C)C.
What is the InChIKey of trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane?
The InChIKey is WZICEFMUXFWSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28BF3N2O3Si/c1-14(2)15(3,4)25-17(24-14)12-10-22(21-13(12)16(18,19)20)11-23-8-9-26(5,6)7/h10H,8-9,11H2,1-7H3.
What are the key properties of trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane has a molecular weight of 392.30 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 140874624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).