tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane

C12H21F3N2OSi — CID 154722332

IUPACtert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H21F3N2OSi/c1-11(2,3)19(4,5)18-7-6-17-9-10(8-16-17)12(13,14)15/h8-9H,6-7H2,1-5H3
InChIKeyQYONTPOHTBQARJ-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.92
Rot. Bonds4

About tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane

tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane (PubChem CID 154722332) has the molecular formula C12H21F3N2OSi and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane
PubChem CID154722332
Molecular FormulaC12H21F3N2OSi
Molecular Weight294.39 g/mol
Exact Mass294.14
IUPAC Nametert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H21F3N2OSi/c1-11(2,3)19(4,5)18-7-6-17-9-10(8-16-17)12(13,14)15/h8-9H,6-7H2,1-5H3
InChIKeyQYONTPOHTBQARJ-UHFFFAOYSA-N
XLogP3.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]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

4-methyl-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-1H-pyrazole
CID 145874394
Tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane
CID 154722276
4-Bromo-1-(2-(T-butyldimethylsilyloxy)ethyl)pyrazole
CID 46739778
1,1,1-trifluoro-3-(4-methyl-1H-pyrazol-1-yl)propan-2-ol
CID 63901657
2-[4-(Trifluoromethyl)pyrazol-1-yl]ethanol
CID 64177776
3,3,3-Trifluoro-2-(4-methylpyrazol-1-yl)propan-1-ol
CID 68165913
1-(2,2,2-Trifluoroethyl)-4-((trimethylsilyl)ethynyl)-1H-pyrazole
CID 68290564
1-(Difluoromethyl)-4-((trimethylsilyl)ethynyl)-1H-pyrazole
CID 68290645
4-Methyl-1-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]pyrazole
CID 118150168
(2R)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
CID 118260384
(2S)-1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
CID 118260386
4-Methyl-1-[1,1,1-trifluoro-3-(trifluoromethoxy)propan-2-yl]pyrazole
CID 122581319

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane (CID 154722332) is tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane is CC(C)(C)[Si](C)(C)OCCn1cc(C(F)(F)F)cn1.
What is the InChIKey of tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane?
The InChIKey is QYONTPOHTBQARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2OSi/c1-11(2,3)19(4,5)18-7-6-17-9-10(8-16-17)12(13,14)15/h8-9H,6-7H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane?
tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane has a molecular weight of 294.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethoxy]silane is sourced from PubChem (CID 154722332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).