tert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane

C17H24F3N3OSi — CID 140612635

IUPACtert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1C(F)(F)CF
InChIInChI=1S/C17H24F3N3OSi/c1-16(2,3)25(4,5)24-11-13-7-6-9-21-15(13)14-8-10-22-23(14)17(19,20)12-18/h6-10H,11-12H2,1-5H3
InChIKeyOVHVQDIUUYJHAG-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.99
Rot. Bonds6

About tert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane

tert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane (PubChem CID 140612635) has the molecular formula C17H24F3N3OSi and a molecular weight of 371.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane
PubChem CID140612635
Molecular FormulaC17H24F3N3OSi
Molecular Weight371.48 g/mol
Exact Mass371.16
IUPAC Nametert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1C(F)(F)CF
InChIInChI=1S/C17H24F3N3OSi/c1-16(2,3)25(4,5)24-11-13-7-6-9-21-15(13)14-8-10-22-23(14)17(19,20)12-18/h6-10H,11-12H2,1-5H3
InChIKeyOVHVQDIUUYJHAG-UHFFFAOYSA-N
XLogP4.99
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.99
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

2-(1-(1-Methylethyl)-1H-pyrazol-5-yl)-3-pyridinemethanol
CID 89654758
(1-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl)methanol
CID 39095883
2-(2-Phenylmethoxypyrazol-3-yl)pyridine
CID 15373685
(R)-(1,5-dimethylpyrazol-3-yl)-pyridin-3-ylmethanol
CID 125180983
4-(t-Butyldimethylsilyloxymethyl)-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 58014000
4-(t-Butyldimethylsilyloxymethyl)-7-iodo-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 58014015
2-{6-[1-(4-Fluorophenyl)-1H-pyrazol-3-yl]-3-pyridinyl}-2-propanol
CID 58302206
Tert-butyl-[[11-(4-fluorophenyl)-4-methyl-13-propan-2-yl-4,5,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaen-12-yl]methoxy]-dimethylsilane
CID 58992802
4-Hydroxymethyl-2-trifluoromethylpyrazolo[1,5-a]pyridine
CID 59389331
(1-(2-fluorobenzyl)-3-(pyridin-2-yl)-1H-pyrazol-5-yl)methanol
CID 66633410
4-(5-(4-fluorobenzyl)-1-(3-(tert-butyldimethylsilyloxy)propyl)-1H-pyrazol-3-yl)pyridine
CID 67091981
2-[2-(Oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine
CID 67991695

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane (CID 140612635) is tert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane is CC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1C(F)(F)CF.
What is the InChIKey of tert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane?
The InChIKey is OVHVQDIUUYJHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3OSi/c1-16(2,3)25(4,5)24-11-13-7-6-9-21-15(13)14-8-10-22-23(14)17(19,20)12-18/h6-10H,11-12H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane?
tert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane has a molecular weight of 371.48 g/mol, XLogP of 4.99, 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-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane is sourced from PubChem (CID 140612635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).