2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane

C9H14N2Si — CID 175852943

IUPAC2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane
SMILES[2H]c1c(C#C[Si](C)(C)C)cnn1C
InChIInChI=1S/C9H14N2Si/c1-11-8-9(7-10-11)5-6-12(2,3)4/h7-8H,1-4H3/i8D
InChIKeyLIPGLFARXMXYKK-BNEYPBHNSA-N
MW179.32 g/mol
LogP1.65
Rot. Bonds

About 2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane

2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane (PubChem CID 175852943) has the molecular formula C9H14N2Si and a molecular weight of 179.32 g/mol. Its IUPAC name is 2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane
PubChem CID175852943
Molecular FormulaC9H14N2Si
Molecular Weight179.32 g/mol
Exact Mass179.10
IUPAC Name2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane
SMILES[2H]c1c(C#C[Si](C)(C)C)cnn1C
InChIInChI=1S/C9H14N2Si/c1-11-8-9(7-10-11)5-6-12(2,3)4/h7-8H,1-4H3/i8D
InChIKeyLIPGLFARXMXYKK-BNEYPBHNSA-N
XLogP1.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane (CID 175852943) is 2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane is [2H]c1c(C#C[Si](C)(C)C)cnn1C.
What is the InChIKey of 2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane?
The InChIKey is LIPGLFARXMXYKK-BNEYPBHNSA-N. The full InChI is InChI=1S/C9H14N2Si/c1-11-8-9(7-10-11)5-6-12(2,3)4/h7-8H,1-4H3/i8D.
What are the key properties of 2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane?
2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane has a molecular weight of 179.32 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-deuterio-1-methylpyrazol-4-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 175852943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).