2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane

C12H20BrF3N2OSi — CID 154722128

IUPAC2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C12H20BrF3N2OSi/c1-11(2,3)20(4,5)19-7-6-18-8-9(13)10(17-18)12(14,15)16/h8H,6-7H2,1-5H3
InChIKeyUSPCSPXMJCLEAQ-UHFFFAOYSA-N
MW373.29 g/mol
LogP4.69
Rot. Bonds4

About 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane

2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 154722128) has the molecular formula C12H20BrF3N2OSi and a molecular weight of 373.29 g/mol. Its IUPAC name is 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane
PubChem CID154722128
Molecular FormulaC12H20BrF3N2OSi
Molecular Weight373.29 g/mol
Exact Mass372.05
IUPAC Name2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(Br)c(C(F)(F)F)n1
InChIInChI=1S/C12H20BrF3N2OSi/c1-11(2,3)20(4,5)19-7-6-18-8-9(13)10(17-18)12(14,15)16/h8H,6-7H2,1-5H3
InChIKeyUSPCSPXMJCLEAQ-UHFFFAOYSA-N
XLogP4.69
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.69
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-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane (CID 154722128) is 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCn1cc(Br)c(C(F)(F)F)n1.
What is the InChIKey of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is USPCSPXMJCLEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrF3N2OSi/c1-11(2,3)20(4,5)19-7-6-18-8-9(13)10(17-18)12(14,15)16/h8H,6-7H2,1-5H3.
What are the key properties of 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane?
2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 373.29 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(trifluoromethyl)pyrazol-1-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 154722128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).