trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane

C16H21F3N2OSi — CID 135072326

IUPACtrimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C16H21F3N2OSi/c1-23(2,3)9-8-22-12-21-11-13(10-20-21)14-6-4-5-7-15(14)16(17,18)19/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyKZBSQIKAUWKZCY-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.88
Rot. Bonds6

About trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane (PubChem CID 135072326) has the molecular formula C16H21F3N2OSi and a molecular weight of 342.44 g/mol. Its IUPAC name is trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
PubChem CID135072326
Molecular FormulaC16H21F3N2OSi
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Nametrimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C16H21F3N2OSi/c1-23(2,3)9-8-22-12-21-11-13(10-20-21)14-6-4-5-7-15(14)16(17,18)19/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyKZBSQIKAUWKZCY-UHFFFAOYSA-N
XLogP4.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56861411
4-(3,5-Difluorophenyl)-1-methyl-1H-pyrazole
CID 4667930
4-(4-Fluorophenyl)-1-methyl-1H-pyrazole
CID 12946648
4-[3,5-Bis(trifluoromethyl)phenyl]-1-methylpyrazole
CID 57538953
4-(2-Fluorophenyl)-1-methyl-1H-pyrazole
CID 79001775
Trimethyl-[2-[[4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 102286110
1,1-difluoro-1-[2-(pyrazol-1-ylmethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
CID 134939373
Trimethyl-[2-[[5-phenyl-4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 135065630
Trimethyl-[2-[[4-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 135072332
4-(5-Fluoro-2-propan-2-ylphenyl)-1-methylpyrazole
CID 57867754
4-(5-Fluoro-2-propan-2-ylphenyl)-1-(2-methylpropyl)pyrazole
CID 57867891
4-(5-Fluoro-2-methylphenyl)-1-methylpyrazole
CID 57999156

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane (CID 135072326) is trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc(-c2ccccc2C(F)(F)F)cn1.
What is the InChIKey of trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?
The InChIKey is KZBSQIKAUWKZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2OSi/c1-23(2,3)9-8-22-12-21-11-13(10-20-21)14-6-4-5-7-15(14)16(17,18)19/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane has a molecular weight of 342.44 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 135072326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).