2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane

C20H28BrN3OSi — CID 140874605

IUPAC2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCn1cc(-c2cn(COCC[Si](C)(C)C)nc2C)c2cc(Br)ccc21
InChIInChI=1S/C20H28BrN3OSi/c1-6-23-12-19(17-11-16(21)7-8-20(17)23)18-13-24(22-15(18)2)14-25-9-10-26(3,4)5/h7-8,11-13H,6,9-10,14H2,1-5H3
InChIKeyFCYYGDUPNYGWOP-UHFFFAOYSA-N
MW434.45 g/mol
LogP5.91
Rot. Bonds7

About 2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140874605) has the molecular formula C20H28BrN3OSi and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID140874605
Molecular FormulaC20H28BrN3OSi
Molecular Weight434.45 g/mol
Exact Mass433.12
IUPAC Name2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCn1cc(-c2cn(COCC[Si](C)(C)C)nc2C)c2cc(Br)ccc21
InChIInChI=1S/C20H28BrN3OSi/c1-6-23-12-19(17-11-16(21)7-8-20(17)23)18-13-24(22-15(18)2)14-25-9-10-26(3,4)5/h7-8,11-13H,6,9-10,14H2,1-5H3
InChIKeyFCYYGDUPNYGWOP-UHFFFAOYSA-N
XLogP5.91
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.45
LogP ≤ 55.91
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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Related Compounds

2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol
CID 145066841
3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
CID 150463736
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511
2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 168727886
4,6-dibromo-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
CID 140829624
2-[(7-bromo-2,3-dihydro-1H-cyclopenta[b]indol-4-yl)methoxy]ethyl-trimethylsilane
CID 101222703
2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 145066845
1-(3-bromophenyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethane-1,2-dione
CID 59772725
1-(5-bromo-1-ethylindol-3-yl)propan-2-one
CID 117195591
2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123539865
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-5-ethyl-7,7-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f]benzimidazol-6-one
CID 69071584
2-[[2,5-bis[6-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 10700609

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 140874605) is 2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is CCn1cc(-c2cn(COCC[Si](C)(C)C)nc2C)c2cc(Br)ccc21.
What is the InChIKey of 2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is FCYYGDUPNYGWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28BrN3OSi/c1-6-23-12-19(17-11-16(21)7-8-20(17)23)18-13-24(22-15(18)2)14-25-9-10-26(3,4)5/h7-8,11-13H,6,9-10,14H2,1-5H3.
What are the key properties of 2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 434.45 g/mol, XLogP of 5.91, 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-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140874605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).