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

C10H16BrF3N2OSi — CID 135086472

IUPAC2-[[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H16BrF3N2OSi/c1-18(2,3)5-4-17-7-16-9(11)6-8(15-16)10(12,13)14/h6H,4-5,7H2,1-3H3
InChIKeyOZGKPYQYQNMPAY-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.98
Rot. Bonds5

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

2-[[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 135086472) has the molecular formula C10H16BrF3N2OSi and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID135086472
Molecular FormulaC10H16BrF3N2OSi
Molecular Weight345.24 g/mol
Exact Mass344.02
IUPAC Name2-[[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(C(F)(F)F)cc1Br
InChIInChI=1S/C10H16BrF3N2OSi/c1-18(2,3)5-4-17-7-16-9(11)6-8(15-16)10(12,13)14/h6H,4-5,7H2,1-3H3
InChIKeyOZGKPYQYQNMPAY-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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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 135086472) is 2-[[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(C(F)(F)F)cc1Br.
What is the InChIKey of 2-[[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is OZGKPYQYQNMPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrF3N2OSi/c1-18(2,3)5-4-17-7-16-9(11)6-8(15-16)10(12,13)14/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-[[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-(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-[[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135086472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).