2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane

C16H22BrFN2OSi — CID 176588942

IUPAC2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cnn(COCC[Si](C)(C)C)c1-c1cc(F)ccc1Br
InChIInChI=1S/C16H22BrFN2OSi/c1-12-10-19-20(11-21-7-8-22(2,3)4)16(12)14-9-13(18)5-6-15(14)17/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyFMZSFMQOIYIEHZ-UHFFFAOYSA-N
MW385.35 g/mol
LogP5.07
Rot. Bonds6

About 2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 176588942) has the molecular formula C16H22BrFN2OSi and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID176588942
Molecular FormulaC16H22BrFN2OSi
Molecular Weight385.35 g/mol
Exact Mass384.07
IUPAC Name2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1cnn(COCC[Si](C)(C)C)c1-c1cc(F)ccc1Br
InChIInChI=1S/C16H22BrFN2OSi/c1-12-10-19-20(11-21-7-8-22(2,3)4)16(12)14-9-13(18)5-6-15(14)17/h5-6,9-10H,7-8,11H2,1-4H3
InChIKeyFMZSFMQOIYIEHZ-UHFFFAOYSA-N
XLogP5.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.35
LogP ≤ 55.07
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

2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
2-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58181208
5-(2-amino-5-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 171757792
2-[(7-bromopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 140869978
2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 174041088
4-bromo-6-(2,4-difluorophenoxy)-1H-indazole;2-[[4-bromo-6-(2,4-difluorophenoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane;2-(chloromethoxy)ethyl-trimethylsilane
CID 158266288
2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810657
N-[[3-(2-bromo-5-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methylidene]-2-methylpropane-2-sulfinamide
CID 67504903
6-(2,4-difluorophenoxy)-1-(2-trimethylsilylethoxymethyl)-4H-pyrazolo[4,5-b]pyridin-5-one
CID 59812975
5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-amine
CID 91146016
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 177341411

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 176588942) is 2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cnn(COCC[Si](C)(C)C)c1-c1cc(F)ccc1Br.
What is the InChIKey of 2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is FMZSFMQOIYIEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2OSi/c1-12-10-19-20(11-21-7-8-22(2,3)4)16(12)14-9-13(18)5-6-15(14)17/h5-6,9-10H,7-8,11H2,1-4H3.
What are the key properties of 2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 385.35 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-bromo-5-fluorophenyl)-4-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 176588942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).