2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol

C19H26BrN3O2Si — CID 145066841

IUPAC2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol
SMILESC[Si](C)(C)CCOCn1cc(-c2cn(CCO)c3ccc(Br)cc23)cn1
InChIInChI=1S/C19H26BrN3O2Si/c1-26(2,3)9-8-25-14-23-12-15(11-21-23)18-13-22(6-7-24)19-5-4-16(20)10-17(18)19/h4-5,10-13,24H,6-9,14H2,1-3H3
InChIKeyBNRBIGPISITJQF-UHFFFAOYSA-N
MW436.43 g/mol
LogP4.57
Rot. Bonds8

About 2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol

2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol (PubChem CID 145066841) has the molecular formula C19H26BrN3O2Si and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol
PubChem CID145066841
Molecular FormulaC19H26BrN3O2Si
Molecular Weight436.43 g/mol
Exact Mass435.10
IUPAC Name2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol
SMILESC[Si](C)(C)CCOCn1cc(-c2cn(CCO)c3ccc(Br)cc23)cn1
InChIInChI=1S/C19H26BrN3O2Si/c1-26(2,3)9-8-25-14-23-12-15(11-21-23)18-13-22(6-7-24)19-5-4-16(20)10-17(18)19/h4-5,10-13,24H,6-9,14H2,1-3H3
InChIKeyBNRBIGPISITJQF-UHFFFAOYSA-N
XLogP4.57
TPSA52.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 145066845
2-[[4-(5-bromo-1-ethylindol-3-yl)-3-methylpyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140874605
2-[[4-(5-bromo-1-pentan-3-ylpyrrolo[2,3-c]pyridin-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123479239
1-(3-bromophenyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]ethane-1,2-dione
CID 59772725
4-[1-(2-methoxyethyl)-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
CID 123425682
1-[2-[1-methyl-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrrolo[2,3-c]pyridin-5-yl]ethynyl]cyclopentan-1-ol
CID 123537843
trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane
CID 167445677
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693
4-[5-bromo-3-[1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazol-4-yl]pyrrolo[2,3-c]pyridin-1-yl]-2-methylbutan-2-ol
CID 134545929
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol?
The IUPAC name of 2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol (CID 145066841) is 2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol.
What is the SMILES notation for 2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol?
The canonical SMILES for 2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol is C[Si](C)(C)CCOCn1cc(-c2cn(CCO)c3ccc(Br)cc23)cn1.
What is the InChIKey of 2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol?
The InChIKey is BNRBIGPISITJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN3O2Si/c1-26(2,3)9-8-25-14-23-12-15(11-21-23)18-13-22(6-7-24)19-5-4-16(20)10-17(18)19/h4-5,10-13,24H,6-9,14H2,1-3H3.
What are the key properties of 2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol?
2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol has a molecular weight of 436.43 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol is sourced from PubChem (CID 145066841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).