2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane

C11H21BrN2OSi — CID 167450452

IUPAC2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCCc1cc(Br)nn1COCC[Si](C)(C)C
InChIInChI=1S/C11H21BrN2OSi/c1-5-10-8-11(12)13-14(10)9-15-6-7-16(2,3)4/h8H,5-7,9H2,1-4H3
InChIKeyCHHMDINFXKBWJF-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.52
Rot. Bonds6

About 2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane

2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 167450452) has the molecular formula C11H21BrN2OSi and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID167450452
Molecular FormulaC11H21BrN2OSi
Molecular Weight305.29 g/mol
Exact Mass304.06
IUPAC Name2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
SMILESCCc1cc(Br)nn1COCC[Si](C)(C)C
InChIInChI=1S/C11H21BrN2OSi/c1-5-10-8-11(12)13-14(10)9-15-6-7-16(2,3)4/h8H,5-7,9H2,1-4H3
InChIKeyCHHMDINFXKBWJF-UHFFFAOYSA-N
XLogP3.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.52
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

5-Bromo-3-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole
CID 135086472
5-Bromo-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonitrile
CID 135086401
2-[[5-Bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 151156877
2-[[5-Bromo-3-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilanuide
CID 163671660
2-[[5-Bromo-3-(3,3,3-trifluoroprop-1-ynyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171795538
2-[[3-Bromo-5-(difluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176911691
2-[[3-Bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
5-Bromo-3-ethyl-1-methylpyrazole
CID 55276918
4-bromo-3,5-dimethyl-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazole
CID 66599684
3-Bromo-5-ethyl-1-methyl-1H-pyrazole
CID 84661817
3-Bromo-5-methyl-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazole
CID 86717531
Tert-butyl-[3-(3-ethyl-5-methylpyrazol-1-yl)propoxy]-dimethylsilane
CID 89458875

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane (CID 167450452) is 2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane is CCc1cc(Br)nn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is CHHMDINFXKBWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2OSi/c1-5-10-8-11(12)13-14(10)9-15-6-7-16(2,3)4/h8H,5-7,9H2,1-4H3.
What are the key properties of 2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 305.29 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-ethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 167450452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).