2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane

C10H18BrFN2OSi — CID 168867920

IUPAC2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane
SMILESCC(OCC[Si](C)(C)C)n1ncc(Br)c1F
InChIInChI=1S/C10H18BrFN2OSi/c1-8(15-5-6-16(2,3)4)14-10(12)9(11)7-13-14/h7-8H,5-6H2,1-4H3
InChIKeyORIYGAZTEMIRED-UHFFFAOYSA-N
MW309.26 g/mol
LogP3.66
Rot. Bonds5

About 2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane

2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane (PubChem CID 168867920) has the molecular formula C10H18BrFN2OSi and a molecular weight of 309.26 g/mol. Its IUPAC name is 2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane
PubChem CID168867920
Molecular FormulaC10H18BrFN2OSi
Molecular Weight309.26 g/mol
Exact Mass308.04
IUPAC Name2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane
SMILESCC(OCC[Si](C)(C)C)n1ncc(Br)c1F
InChIInChI=1S/C10H18BrFN2OSi/c1-8(15-5-6-16(2,3)4)14-10(12)9(11)7-13-14/h7-8H,5-6H2,1-4H3
InChIKeyORIYGAZTEMIRED-UHFFFAOYSA-N
XLogP3.66
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(ethoxyethyl)-4-bromo-1H-pyrazole
CID 4640410
5-fluoro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazole
CID 69090337
4-bromo-5-fluoro-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazole
CID 90419535
Tert-butyl-[2-(4-fluoropyrazol-1-yl)ethoxy]-dimethylsilane
CID 154722276
4-Bromo-1-(2-(T-butyldimethylsilyloxy)ethyl)pyrazole
CID 46739778
4-Fluoro-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrazole
CID 153571653
4-Bromo-3-fluoro-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole
CID 154791879
2-[[3-Bromo-4-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 163392229
5-fluoro-4-iodo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazole
CID 165897937
2-[1-(5-Fluoro-4-iodopyrazol-1-yl)ethoxy]ethyl-trimethylsilane
CID 168867940
2-[(3-Bromo-4-fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 168982285
2-[(3-Fluoropyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 172212841

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane (CID 168867920) is 2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane is CC(OCC[Si](C)(C)C)n1ncc(Br)c1F.
What is the InChIKey of 2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane?
The InChIKey is ORIYGAZTEMIRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrFN2OSi/c1-8(15-5-6-16(2,3)4)14-10(12)9(11)7-13-14/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane?
2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane has a molecular weight of 309.26 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-5-fluoropyrazol-1-yl)ethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 168867920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).