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

C17H22BrN3OSi — CID 145066845

IUPAC2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2c[nH]c3ccc(Br)cc23)cn1
InChIInChI=1S/C17H22BrN3OSi/c1-23(2,3)7-6-22-12-21-11-13(9-20-21)16-10-19-17-5-4-14(18)8-15(16)17/h4-5,8-11,19H,6-7,12H2,1-3H3
InChIKeyYWFSFDAVZNJYOT-UHFFFAOYSA-N
MW392.37 g/mol
LogP5.11
Rot. Bonds6

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

2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 145066845) has the molecular formula C17H22BrN3OSi and a molecular weight of 392.37 g/mol. Its IUPAC name is 2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID145066845
Molecular FormulaC17H22BrN3OSi
Molecular Weight392.37 g/mol
Exact Mass391.07
IUPAC Name2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2c[nH]c3ccc(Br)cc23)cn1
InChIInChI=1S/C17H22BrN3OSi/c1-23(2,3)7-6-22-12-21-11-13(9-20-21)16-10-19-17-5-4-14(18)8-15(16)17/h4-5,8-11,19H,6-7,12H2,1-3H3
InChIKeyYWFSFDAVZNJYOT-UHFFFAOYSA-N
XLogP5.11
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.37
LogP ≤ 55.11
H-Bond Donors ≤ 51
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

2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol
CID 145066841
2-[[4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-chloropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123539865
1-(3-bromophenyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethane-1,2-dione
CID 59772725
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693
3-bromo-5-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172990853
2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810657
2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
CID 171118395
2-[[4-(5-bromo-1-pentan-3-ylpyrrolo[2,3-c]pyridin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123479239
3-chloro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172914739
1-bromo-3-methylsulfonylbenzene;4-(3-methylsulfonylphenyl)-1H-pyrazole;4-(3-methylsulfonylphenyl)-1-(1H-pyrazol-5-ylmethyl)pyrazole;trimethyl-[2-[[4-(3-methylsulfonylphenyl)pyrazol-1-yl]methoxy]ethyl]silane
CID 158149611
5-bromo-3-(4-chlorophenyl)-1H-indole
CID 132595154
2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140874605

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 145066845) is 2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2c[nH]c3ccc(Br)cc23)cn1.
What is the InChIKey of 2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is YWFSFDAVZNJYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3OSi/c1-23(2,3)7-6-22-12-21-11-13(9-20-21)16-10-19-17-5-4-14(18)8-15(16)17/h4-5,8-11,19H,6-7,12H2,1-3H3.
What are the key properties of 2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 392.37 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 145066845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).