tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane

C18H26F3N3OSi — CID 86690728

IUPACtert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CCC(F)(F)F
InChIInChI=1S/C18H26F3N3OSi/c1-17(2,3)26(4,5)25-13-14-7-6-10-22-16(14)15-8-11-23-24(15)12-9-18(19,20)21/h6-8,10-11H,9,12-13H2,1-5H3
InChIKeyIVQOVGKPEVFHHH-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.42
Rot. Bonds6

About tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane

tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane (PubChem CID 86690728) has the molecular formula C18H26F3N3OSi and a molecular weight of 385.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane
PubChem CID86690728
Molecular FormulaC18H26F3N3OSi
Molecular Weight385.51 g/mol
Exact Mass385.18
IUPAC Nametert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CCC(F)(F)F
InChIInChI=1S/C18H26F3N3OSi/c1-17(2,3)26(4,5)25-13-14-7-6-10-22-16(14)15-8-11-23-24(15)12-9-18(19,20)21/h6-8,10-11H,9,12-13H2,1-5H3
InChIKeyIVQOVGKPEVFHHH-UHFFFAOYSA-N
XLogP5.42
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane (CID 86690728) is tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane is CC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CCC(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane?
The InChIKey is IVQOVGKPEVFHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3OSi/c1-17(2,3)26(4,5)25-13-14-7-6-10-22-16(14)15-8-11-23-24(15)12-9-18(19,20)21/h6-8,10-11H,9,12-13H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane?
tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane has a molecular weight of 385.51 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane is sourced from PubChem (CID 86690728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).