Trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane

C₁₆H₂₁F₃N₂OSi — CID 135072326

About Trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane

Trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane (PubChem CID 135072326) has the molecular formula C₁₆H₂₁F₃N₂OSi and a molecular weight of 342.44 g/mol. Its IUPAC name is trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: Trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 135072326
• Molecular Formula: C₁₆H₂₁F₃N₂OSi
• Molecular Weight: 342.44 g/mol
• Exact Mass: 342.14
• IUPAC Name: trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
• SMILES: C[Si](C)(C)CCOCn1cc(-c2ccccc2C(F)(F)F)cn1
• InChI: InChI=1S/C16H21F3N2OSi/c1-23(2,3)9-8-22-12-21-11-13(10-20-21)14-6-4-5-7-15(14)16(17,18)19/h4-7,10-11H,8-9,12H2,1-3H3
• InChIKey: KZBSQIKAUWKZCY-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 27.05 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.44
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of Trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane (CID 135072326) is trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for Trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for Trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc(-c2ccccc2C(F)(F)F)cn1.

What is the InChIKey of Trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?

The InChIKey is KZBSQIKAUWKZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2OSi/c1-23(2,3)9-8-22-12-21-11-13(10-20-21)14-6-4-5-7-15(14)16(17,18)19/h4-7,10-11H,8-9,12H2,1-3H3.

What are the key properties of Trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?

Trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane has a molecular weight of 342.44 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Trimethyl-[2-[[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 135072326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135072326 — identifiers, structure, computed properties (public domain)

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