tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane

C35H50N4O5Si — CID 174203772

About tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane

tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane (PubChem CID 174203772) has the molecular formula C35H50N4O5Si and a molecular weight of 634.89 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane
• PubChem CID: 174203772
• Molecular Formula: C35H50N4O5Si
• Molecular Weight: 634.89 g/mol
• Exact Mass: 634.36
• IUPAC Name: tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane
• SMILES: CC(Cn1cc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)cn1)OCCOCCOCc1ccccc1
• InChI: InChI=1S/C35H50N4O5Si/c1-27(42-21-20-40-18-19-41-26-28-12-8-7-9-13-28)24-38-25-29(23-36-38)34-31-22-30(44-45(5,6)35(2,3)4)15-16-32(31)39(37-34)33-14-10-11-17-43-33/h7-9,12-13,15-16,22-23,25,27,33H,10-11,14,17-21,24,26H2,1-6H3
• InChIKey: NAHZODFCCYLOAB-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 81.79 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.89
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane?

The IUPAC name of tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane (CID 174203772) is tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane.

What is the SMILES notation for tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane?

The canonical SMILES for tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane is CC(Cn1cc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)cn1)OCCOCCOCc1ccccc1.

What is the InChIKey of tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane?

The InChIKey is NAHZODFCCYLOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50N4O5Si/c1-27(42-21-20-40-18-19-41-26-28-12-8-7-9-13-28)24-38-25-29(23-36-38)34-31-22-30(44-45(5,6)35(2,3)4)15-16-32(31)39(37-34)33-14-10-11-17-43-33/h7-9,12-13,15-16,22-23,25,27,33H,10-11,14,17-21,24,26H2,1-6H3.

What are the key properties of tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane?

tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane has a molecular weight of 634.89 g/mol, XLogP of 7.62, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane is sourced from PubChem (CID 174203772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).