tert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane

C22H28FN3OSi — CID 58265208

IUPACtert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane
SMILES[2H]C([2H])(O[Si](C)(C)C(C)(C)C)C([2H])([2H])n1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H28FN3OSi/c1-22(2,3)28(4,5)27-15-14-26-16-20(17-10-12-24-13-11-17)21(25-26)18-6-8-19(23)9-7-18/h6-13,16H,14-15H2,1-5H3/i14D2,15D2
InChIKeyAPUHKLLWZLLVAX-QZPARXMSSA-N
MW401.59 g/mol
LogP5.77
Rot. Bonds6

About tert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane

tert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane (PubChem CID 58265208) has the molecular formula C22H28FN3OSi and a molecular weight of 401.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane
PubChem CID58265208
Molecular FormulaC22H28FN3OSi
Molecular Weight401.59 g/mol
Exact Mass401.22
IUPAC Nametert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane
SMILES[2H]C([2H])(O[Si](C)(C)C(C)(C)C)C([2H])([2H])n1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H28FN3OSi/c1-22(2,3)28(4,5)27-15-14-26-16-20(17-10-12-24-13-11-17)21(25-26)18-6-8-19(23)9-7-18/h6-13,16H,14-15H2,1-5H3/i14D2,15D2
InChIKeyAPUHKLLWZLLVAX-QZPARXMSSA-N
XLogP5.77
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.59
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine
CID 67107247
1-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-6-oxopyridine-3-carboxylic acid
CID 110129647
2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile
CID 67106113
4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
CID 56951008
4-[3-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrazol-4-yl]pyridine
CID 15837968
[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl] N-tert-butylcarbamate
CID 174683593
4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
CID 67107099
2-(4-phenyl-3-pyridin-4-ylpyrazol-1-yl)ethanol
CID 20594015
2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 67106772
3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine
CID 23080617
2-[4-(4-fluorophenyl)-3-(4-sulfamoylphenyl)pyrazol-1-yl]acetate
CID 18914552
2-[4-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpyrazol-1-yl]ethanol
CID 11638140

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane (CID 58265208) is tert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane is [2H]C([2H])(O[Si](C)(C)C(C)(C)C)C([2H])([2H])n1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of tert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane?
The InChIKey is APUHKLLWZLLVAX-QZPARXMSSA-N. The full InChI is InChI=1S/C22H28FN3OSi/c1-22(2,3)28(4,5)27-15-14-26-16-20(17-10-12-24-13-11-17)21(25-26)18-6-8-19(23)9-7-18/h6-13,16H,14-15H2,1-5H3/i14D2,15D2.
What are the key properties of tert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane?
tert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane has a molecular weight of 401.59 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1,1,2,2-tetradeuterio-2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethoxy]silane is sourced from PubChem (CID 58265208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).