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

C10H16BrF3N2OSi — CID 177304121

IUPAC2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H16BrF3N2OSi/c1-18(2,3)5-4-17-7-16-8(10(12,13)14)6-9(11)15-16/h6H,4-5,7H2,1-3H3
InChIKeyLZDOPBHHDOBNKI-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.98
Rot. Bonds5

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

2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 177304121) has the molecular formula C10H16BrF3N2OSi and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID177304121
Molecular FormulaC10H16BrF3N2OSi
Molecular Weight345.24 g/mol
Exact Mass344.02
IUPAC Name2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H16BrF3N2OSi/c1-18(2,3)5-4-17-7-16-8(10(12,13)14)6-9(11)15-16/h6H,4-5,7H2,1-3H3
InChIKeyLZDOPBHHDOBNKI-UHFFFAOYSA-N
XLogP3.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.98
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

3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
CID 135086401
[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-phenylmethanone
CID 157048343
trimethyl-[2-[[2-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl]silane
CID 175156101
1-(propoxymethyl)-5-(trifluoromethyl)pyrazole-3-carbaldehyde
CID 139675358
5-deuterio-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 175932254
2-[(4-bromotriazol-2-yl)methoxy]ethyl-trimethylsilane
CID 153333736
2-[(5-bromo-3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 170992560
2-[[4-(chloromethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 68629497
2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123200798
2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 171770081
2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175083132
2-[[7-bromo-5-methyl-6-(trifluoromethyl)-2,3-dihydroindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171769788

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 177304121) is 2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is LZDOPBHHDOBNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF3N2OSi/c1-18(2,3)5-4-17-7-16-8(10(12,13)14)6-9(11)15-16/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 345.24 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 177304121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).