2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol

C14H28N2O3Si — CID 142341654

IUPAC2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol
SMILESCOCCc1cn(COCC[Si](C)(C)C)nc1CCO
InChIInChI=1S/C14H28N2O3Si/c1-18-8-6-13-11-16(15-14(13)5-7-17)12-19-9-10-20(2,3)4/h11,17H,5-10,12H2,1-4H3
InChIKeyHLFKWZHDELYKON-UHFFFAOYSA-N
MW300.48 g/mol
LogP1.92
Rot. Bonds10

About 2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol

2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol (PubChem CID 142341654) has the molecular formula C14H28N2O3Si and a molecular weight of 300.48 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol
PubChem CID142341654
Molecular FormulaC14H28N2O3Si
Molecular Weight300.48 g/mol
Exact Mass300.19
IUPAC Name2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol
SMILESCOCCc1cn(COCC[Si](C)(C)C)nc1CCO
InChIInChI=1S/C14H28N2O3Si/c1-18-8-6-13-11-16(15-14(13)5-7-17)12-19-9-10-20(2,3)4/h11,17H,5-10,12H2,1-4H3
InChIKeyHLFKWZHDELYKON-UHFFFAOYSA-N
XLogP1.92
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol?
The IUPAC name of 2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol (CID 142341654) is 2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol?
The canonical SMILES for 2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol is COCCc1cn(COCC[Si](C)(C)C)nc1CCO.
What is the InChIKey of 2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol?
The InChIKey is HLFKWZHDELYKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3Si/c1-18-8-6-13-11-16(15-14(13)5-7-17)12-19-9-10-20(2,3)4/h11,17H,5-10,12H2,1-4H3.
What are the key properties of 2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol?
2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol has a molecular weight of 300.48 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 142341654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).