1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane

C48H45BrF12N8OSi — CID 159430672

About 1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane

1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane (PubChem CID 159430672) has the molecular formula C48H45BrF12N8OSi and a molecular weight of 1085.91 g/mol. Its IUPAC name is 1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 159430672
• Molecular Formula: C48H45BrF12N8OSi
• Molecular Weight: 1085.91 g/mol
• Exact Mass: 1084.25
• IUPAC Name: 1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
• SMILES: C[Si](C)(C)CCOCn1cc(-c2ccc(C(F)(F)F)cc2)cn1.Cn1ccc(Cn2cc(-c3ccc(C(F)(F)F)cc3)cn2)n1.FC(F)(F)c1ccc(-c2cn[nH]c2)cc1.FC(F)(F)c1ccc(Br)cc1
• InChI: InChI=1S/C16H21F3N2OSi.C15H13F3N4.C10H7F3N2.C7H4BrF3/c1-23(2,3)9-8-22-12-21-11-14(10-20-21)13-4-6-15(7-5-13)16(17,18)19;1-21-7-6-14(20-21)10-22-9-12(8-19-22)11-2-4-13(5-3-11)15(16,17)18;11-10(12,13)9-3-1-7(2-4-9)8-5-14-15-6-8;8-6-3-1-5(2-4-6)7(9,10)11/h4-7,10-11H,8-9,12H2,1-3H3;2-9H,10H2,1H3;1-6H,(H,14,15);1-4H
• InChIKey: LQYFQYFRHRMYJK-UHFFFAOYSA-N
• XLogP: 14.80
• TPSA: 91.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1085.91
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of 1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane (CID 159430672) is 1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for 1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for 1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1cc(-c2ccc(C(F)(F)F)cc2)cn1.Cn1ccc(Cn2cc(-c3ccc(C(F)(F)F)cc3)cn2)n1.FC(F)(F)c1ccc(-c2cn[nH]c2)cc1.FC(F)(F)c1ccc(Br)cc1.

What is the InChIKey of 1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?

The InChIKey is LQYFQYFRHRMYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2OSi.C15H13F3N4.C10H7F3N2.C7H4BrF3/c1-23(2,3)9-8-22-12-21-11-14(10-20-21)13-4-6-15(7-5-13)16(17,18)19;1-21-7-6-14(20-21)10-22-9-12(8-19-22)11-2-4-13(5-3-11)15(16,17)18;11-10(12,13)9-3-1-7(2-4-9)8-5-14-15-6-8;8-6-3-1-5(2-4-6)7(9,10)11/h4-7,10-11H,8-9,12H2,1-3H3;2-9H,10H2,1H3;1-6H,(H,14,15);1-4H.

What are the key properties of 1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane?

1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1085.91 g/mol, XLogP of 14.80, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-(trifluoromethyl)benzene;1-methyl-3-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]pyrazole;4-[4-(trifluoromethyl)phenyl]-1H-pyrazole;trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 159430672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).