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

C30H40Cl4F6N6O2SSi — CID 157144260

IUPACtert-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
SMILESCC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CC(F)(F)F.Cl.FC(F)(F)Cn1nccc1-c1ncccc1CCl.O=S(Cl)Cl.[2H]CC
InChIInChI=1S/C17H24F3N3OSi.C11H9ClF3N3.C2H6.Cl2OS.ClH/c1-16(2,3)25(4,5)24-11-13-7-6-9-21-15(13)14-8-10-22-23(14)12-17(18,19)20;12-6-8-2-1-4-16-10(8)9-3-5-17-18(9)7-11(13,14)15;1-2;1-4(2)3;/h6-10H,11-12H2,1-5H3;1-5H,6-7H2;1-2H3;;1H/i;;1D;;
InChIKeySGTHKJVBKQRGCW-JCJDDGPNSA-N
MW833.65 g/mol
LogP10.77
Rot. Bonds8

About 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

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 (PubChem CID 157144260) has the molecular formula C30H40Cl4F6N6O2SSi and a molecular weight of 833.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID157144260
Molecular FormulaC30H40Cl4F6N6O2SSi
Molecular Weight833.65 g/mol
Exact Mass831.14
IUPAC Nametert-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
SMILESCC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CC(F)(F)F.Cl.FC(F)(F)Cn1nccc1-c1ncccc1CCl.O=S(Cl)Cl.[2H]CC
InChIInChI=1S/C17H24F3N3OSi.C11H9ClF3N3.C2H6.Cl2OS.ClH/c1-16(2,3)25(4,5)24-11-13-7-6-9-21-15(13)14-8-10-22-23(14)12-17(18,19)20;12-6-8-2-1-4-16-10(8)9-3-5-17-18(9)7-11(13,14)15;1-2;1-4(2)3;/h6-10H,11-12H2,1-5H3;1-5H,6-7H2;1-2H3;;1H/i;;1D;;
InChIKeySGTHKJVBKQRGCW-JCJDDGPNSA-N
XLogP10.77
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.65
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CC(F)(F)F.Cl.FC(F)(F)Cn1nccc1-c1ncccc1CCl.O=S(Cl)Cl.[2H]CC.
What is the InChIKey of 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?
The InChIKey is SGTHKJVBKQRGCW-JCJDDGPNSA-N. The full InChI is InChI=1S/C17H24F3N3OSi.C11H9ClF3N3.C2H6.Cl2OS.ClH/c1-16(2,3)25(4,5)24-11-13-7-6-9-21-15(13)14-8-10-22-23(14)12-17(18,19)20;12-6-8-2-1-4-16-10(8)9-3-5-17-18(9)7-11(13,14)15;1-2;1-4(2)3;/h6-10H,11-12H2,1-5H3;1-5H,6-7H2;1-2H3;;1H/i;;1D;;.
What are the key properties of 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?
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 has a molecular weight of 833.65 g/mol, XLogP of 10.77, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157144260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).