trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane

C27H28F3N3OSi — CID 42612115

About trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane (PubChem CID 42612115) has the molecular formula C27H28F3N3OSi and a molecular weight of 495.62 g/mol. Its IUPAC name is trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 42612115
• Molecular Formula: C27H28F3N3OSi
• Molecular Weight: 495.62 g/mol
• Exact Mass: 495.20
• IUPAC Name: trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
• SMILES: C[Si](C)(C)CCOCn1nc(-c2cccnc2)c(-c2ccccc2)c1-c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C27H28F3N3OSi/c1-35(2,3)17-16-34-19-33-26(21-11-13-23(14-12-21)27(28,29)30)24(20-8-5-4-6-9-20)25(32-33)22-10-7-15-31-18-22/h4-15,18H,16-17,19H2,1-3H3
• InChIKey: GLTXUOACLLHXDF-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane (CID 42612115) is trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1nc(-c2cccnc2)c(-c2ccccc2)c1-c1ccc(C(F)(F)F)cc1.

What is the InChIKey of trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?

The InChIKey is GLTXUOACLLHXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3OSi/c1-35(2,3)17-16-34-19-33-26(21-11-13-23(14-12-21)27(28,29)30)24(20-8-5-4-6-9-20)25(32-33)22-10-7-15-31-18-22/h4-15,18H,16-17,19H2,1-3H3.

What are the key properties of trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?

trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane has a molecular weight of 495.62 g/mol, XLogP of 7.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[[4-phenyl-3-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 42612115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).