2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C20H25BrF3N3OSi — CID 140874600

IUPAC2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(Br)cc(C(F)(F)F)c21
InChIInChI=1S/C20H25BrF3N3OSi/c1-5-26-12-17(16-8-15(21)9-18(19(16)26)20(22,23)24)14-10-25-27(11-14)13-28-6-7-29(2,3)4/h8-12H,5-7,13H2,1-4H3
InChIKeyCEFVYQKGIHBZBB-UHFFFAOYSA-N
MW488.42 g/mol
LogP6.62
Rot. Bonds7

About 2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140874600) has the molecular formula C20H25BrF3N3OSi and a molecular weight of 488.42 g/mol. Its IUPAC name is 2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID140874600
Molecular FormulaC20H25BrF3N3OSi
Molecular Weight488.42 g/mol
Exact Mass487.09
IUPAC Name2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(Br)cc(C(F)(F)F)c21
InChIInChI=1S/C20H25BrF3N3OSi/c1-5-26-12-17(16-8-15(21)9-18(19(16)26)20(22,23)24)14-10-25-27(11-14)13-28-6-7-29(2,3)4/h8-12H,5-7,13H2,1-4H3
InChIKeyCEFVYQKGIHBZBB-UHFFFAOYSA-N
XLogP6.62
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.42
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 140874600) is 2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is CCn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(Br)cc(C(F)(F)F)c21.
What is the InChIKey of 2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CEFVYQKGIHBZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrF3N3OSi/c1-5-26-12-17(16-8-15(21)9-18(19(16)26)20(22,23)24)14-10-25-27(11-14)13-28-6-7-29(2,3)4/h8-12H,5-7,13H2,1-4H3.
What are the key properties of 2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 488.42 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-bromo-1-ethyl-7-(trifluoromethyl)indol-3-yl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140874600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).