2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol

C10H16N2OSi — CID 99962349

IUPAC2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol
SMILESC[Si](C)(C)C#Cc1cnn(CCO)c1
InChIInChI=1S/C10H16N2OSi/c1-14(2,3)7-4-10-8-11-12(9-10)5-6-13/h8-9,13H,5-6H2,1-3H3
InChIKeyAHHCYLYJEGWJLT-UHFFFAOYSA-N
MW208.34 g/mol
LogP1.10
Rot. Bonds2

About 2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol

2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol (PubChem CID 99962349) has the molecular formula C10H16N2OSi and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol
PubChem CID99962349
Molecular FormulaC10H16N2OSi
Molecular Weight208.34 g/mol
Exact Mass208.10
IUPAC Name2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol
SMILESC[Si](C)(C)C#Cc1cnn(CCO)c1
InChIInChI=1S/C10H16N2OSi/c1-14(2,3)7-4-10-8-11-12(9-10)5-6-13/h8-9,13H,5-6H2,1-3H3
InChIKeyAHHCYLYJEGWJLT-UHFFFAOYSA-N
XLogP1.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol (CID 99962349) is 2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol is C[Si](C)(C)C#Cc1cnn(CCO)c1.
What is the InChIKey of 2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol?
The InChIKey is AHHCYLYJEGWJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OSi/c1-14(2,3)7-4-10-8-11-12(9-10)5-6-13/h8-9,13H,5-6H2,1-3H3.
What are the key properties of 2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol?
2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol has a molecular weight of 208.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-trimethylsilylethynyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 99962349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).