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

C29H39ClF6N6O3Si — CID 161316675

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

tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride (PubChem CID 161316675) has the molecular formula C29H39ClF6N6O3Si and a molecular weight of 697.20 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride
• PubChem CID: 161316675
• Molecular Formula: C29H39ClF6N6O3Si
• Molecular Weight: 697.20 g/mol
• Exact Mass: 696.24
• IUPAC Name: tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride
• SMILES: CC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CC(F)(F)F.CO.Cl.OCc1cccnc1-c1ccnn1CC(F)(F)F
• InChI: InChI=1S/C17H24F3N3OSi.C11H10F3N3O.CH4O.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;12-11(13,14)7-17-9(3-5-16-17)10-8(6-18)2-1-4-15-10;1-2;/h6-10H,11-12H2,1-5H3;1-5,18H,6-7H2;2H,1H3;1H
• InChIKey: KPFYVLJHZFGYNJ-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 111.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.20
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

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;methanol;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride?

The IUPAC name of tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride (CID 161316675) is tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride.

What is the SMILES notation for tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride?

The canonical SMILES for tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride is CC(C)(C)[Si](C)(C)OCc1cccnc1-c1ccnn1CC(F)(F)F.CO.Cl.OCc1cccnc1-c1ccnn1CC(F)(F)F.

What is the InChIKey of tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride?

The InChIKey is KPFYVLJHZFGYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3OSi.C11H10F3N3O.CH4O.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;12-11(13,14)7-17-9(3-5-16-17)10-8(6-18)2-1-4-15-10;1-2;/h6-10H,11-12H2,1-5H3;1-5,18H,6-7H2;2H,1H3;1H.

What are the key properties of tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride?

tert-butyl-dimethyl-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride has a molecular weight of 697.20 g/mol, XLogP of 7.06, 8 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-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]silane;methanol;[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methanol;hydrochloride is sourced from PubChem (CID 161316675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).