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

C31H43ClF6N6O3Si — CID 157172191

IUPACtert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride
SMILESCC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CCC(F)(F)F.CO.Cl.OCc1cccnc1-c1ccnn1CCC(F)(F)F
InChIInChI=1S/C18H26F3N3OSi.C12H12F3N3O.CH4O.ClH/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;13-12(14,15)4-7-18-10(3-6-17-18)11-9(8-19)2-1-5-16-11;1-2;/h6-8,10-11H,9,12-13H2,1-5H3;1-3,5-6,19H,4,7-8H2;2H,1H3;1H
InChIKeyKSXQMANXISIXNS-UHFFFAOYSA-N
MW725.25 g/mol
LogP7.84
Rot. Bonds10

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

tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride (PubChem CID 157172191) has the molecular formula C31H43ClF6N6O3Si and a molecular weight of 725.25 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride
PubChem CID157172191
Molecular FormulaC31H43ClF6N6O3Si
Molecular Weight725.25 g/mol
Exact Mass724.28
IUPAC Nametert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride
SMILESCC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CCC(F)(F)F.CO.Cl.OCc1cccnc1-c1ccnn1CCC(F)(F)F
InChIInChI=1S/C18H26F3N3OSi.C12H12F3N3O.CH4O.ClH/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;13-12(14,15)4-7-18-10(3-6-17-18)11-9(8-19)2-1-5-16-11;1-2;/h6-8,10-11H,9,12-13H2,1-5H3;1-3,5-6,19H,4,7-8H2;2H,1H3;1H
InChIKeyKSXQMANXISIXNS-UHFFFAOYSA-N
XLogP7.84
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.25
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[2-Fluoro-5-[3-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol
CID 69350425
(2-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)pyridin-3-yl)methanol
CID 86690725
3-((tert-butyldimethylsilyloxy)methyl)-2-(1-(3,3,3-trifluoropropyl)-1H-pyrazol-5-yl)pyridine
CID 86690728
(2-(1-(3,3,3-trifluoropropyl)-1H-pyrazol-5-yl)pyridin-3-yl)methanol
CID 86690730
Tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane
CID 89668902
3-Methyl-2-[2-(methylideneamino)-1-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]ethenyl]but-2-en-1-ol
CID 123850226
6-[[3-Fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
CID 126658915
6-[[3-Fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol
CID 126658955
[2-(4-Fluoro-1-propan-2-ylpyrazol-5-yl)-3-pyridinyl]methanol
CID 132251674
Tert-butyl-dimethyl-[[2-[2-(1,1,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane
CID 140612635
[2-[2-(1,1,2-Trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol
CID 140612636
Tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;3-(chloromethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridine;deuterioethane;thionyl dichloride;hydrochloride
CID 157144260

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;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride?
The IUPAC name of tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride (CID 157172191) is tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride.
What is the SMILES notation for tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride?
The canonical SMILES for tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride is CC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CCC(F)(F)F.CO.Cl.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;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride?
The InChIKey is KSXQMANXISIXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3OSi.C12H12F3N3O.CH4O.ClH/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;13-12(14,15)4-7-18-10(3-6-17-18)11-9(8-19)2-1-5-16-11;1-2;/h6-8,10-11H,9,12-13H2,1-5H3;1-3,5-6,19H,4,7-8H2;2H,1H3;1H.
What are the key properties of tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride?
tert-butyl-dimethyl-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride has a molecular weight of 725.25 g/mol, XLogP of 7.84, 10 rotatable bonds, 2 hydrogen bond donors, and 9 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;methanol;[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride is sourced from PubChem (CID 157172191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).