2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane

C10H16N2Si — CID 99962359

IUPAC2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane
SMILESCCn1nccc1C#C[Si](C)(C)C
InChIInChI=1S/C10H16N2Si/c1-5-12-10(6-8-11-12)7-9-13(2,3)4/h6,8H,5H2,1-4H3
InChIKeyROSXQJBDPQJESX-UHFFFAOYSA-N
MW192.34 g/mol
LogP2.13
Rot. Bonds1

About 2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane

2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane (PubChem CID 99962359) has the molecular formula C10H16N2Si and a molecular weight of 192.34 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane
PubChem CID99962359
Molecular FormulaC10H16N2Si
Molecular Weight192.34 g/mol
Exact Mass192.11
IUPAC Name2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane
SMILESCCn1nccc1C#C[Si](C)(C)C
InChIInChI=1S/C10H16N2Si/c1-5-12-10(6-8-11-12)7-9-13(2,3)4/h6,8H,5H2,1-4H3
InChIKeyROSXQJBDPQJESX-UHFFFAOYSA-N
XLogP2.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.34
LogP ≤ 52.13
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane (CID 99962359) is 2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane is CCn1nccc1C#C[Si](C)(C)C.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane?
The InChIKey is ROSXQJBDPQJESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2Si/c1-5-12-10(6-8-11-12)7-9-13(2,3)4/h6,8H,5H2,1-4H3.
What are the key properties of 2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane?
2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane has a molecular weight of 192.34 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 99962359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).