2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane

C11H20BrFN2OSi — CID 168867950

IUPAC2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane
SMILESCc1nn(C(C)OCC[Si](C)(C)C)c(F)c1Br
InChIInChI=1S/C11H20BrFN2OSi/c1-8-10(12)11(13)15(14-8)9(2)16-6-7-17(3,4)5/h9H,6-7H2,1-5H3
InChIKeyOMAWYRIEHNVYOM-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.97
Rot. Bonds5

About 2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane

2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane (PubChem CID 168867950) has the molecular formula C11H20BrFN2OSi and a molecular weight of 323.28 g/mol. Its IUPAC name is 2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane
PubChem CID168867950
Molecular FormulaC11H20BrFN2OSi
Molecular Weight323.28 g/mol
Exact Mass322.05
IUPAC Name2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane
SMILESCc1nn(C(C)OCC[Si](C)(C)C)c(F)c1Br
InChIInChI=1S/C11H20BrFN2OSi/c1-8-10(12)11(13)15(14-8)9(2)16-6-7-17(3,4)5/h9H,6-7H2,1-5H3
InChIKeyOMAWYRIEHNVYOM-UHFFFAOYSA-N
XLogP3.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane (CID 168867950) is 2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane is Cc1nn(C(C)OCC[Si](C)(C)C)c(F)c1Br.
What is the InChIKey of 2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane?
The InChIKey is OMAWYRIEHNVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrFN2OSi/c1-8-10(12)11(13)15(14-8)9(2)16-6-7-17(3,4)5/h9H,6-7H2,1-5H3.
What are the key properties of 2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane?
2-[1-(4-bromo-5-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane has a molecular weight of 323.28 g/mol, XLogP of 3.97, 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-fluoro-3-methylpyrazol-1-yl)ethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 168867950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).