4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole

C44H41BrCl8N8OSi — CID 161480314

About 4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole

4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole (PubChem CID 161480314) has the molecular formula C44H41BrCl8N8OSi and a molecular weight of 1089.48 g/mol. Its IUPAC name is 4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole.

Molecular Properties

• Compound Name: 4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole
• PubChem CID: 161480314
• Molecular Formula: C44H41BrCl8N8OSi
• Molecular Weight: 1089.48 g/mol
• Exact Mass: 1083.99
• IUPAC Name: 4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole
• SMILES: C[Si](C)(C)CCOCn1cc(-c2ccc(Cl)c(Cl)c2)cn1.Clc1ccc(-c2cn[nH]c2)cc1Cl.Clc1ccc(Br)cc1Cl.Cn1ccc(Cn2cc(-c3ccc(Cl)c(Cl)c3)cn2)n1
• InChI: InChI=1S/C15H20Cl2N2OSi.C14H12Cl2N4.C9H6Cl2N2.C6H3BrCl2/c1-21(2,3)7-6-20-11-19-10-13(9-18-19)12-4-5-14(16)15(17)8-12;1-19-5-4-12(18-19)9-20-8-11(7-17-20)10-2-3-13(15)14(16)6-10;10-8-2-1-6(3-9(8)11)7-4-12-13-5-7;7-4-1-2-5(8)6(9)3-4/h4-5,8-10H,6-7,11H2,1-3H3;2-8H,9H2,1H3;1-5H,(H,12,13);1-3H
• InChIKey: WEGPPPLZUBTVSW-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 91.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1089.48
LogP ≤ 5	15.95
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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole?

The IUPAC name of 4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole (CID 161480314) is 4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole.

What is the SMILES notation for 4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole?

The canonical SMILES for 4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole is C[Si](C)(C)CCOCn1cc(-c2ccc(Cl)c(Cl)c2)cn1.Clc1ccc(-c2cn[nH]c2)cc1Cl.Clc1ccc(Br)cc1Cl.Cn1ccc(Cn2cc(-c3ccc(Cl)c(Cl)c3)cn2)n1.

What is the InChIKey of 4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole?

The InChIKey is WEGPPPLZUBTVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2OSi.C14H12Cl2N4.C9H6Cl2N2.C6H3BrCl2/c1-21(2,3)7-6-20-11-19-10-13(9-18-19)12-4-5-14(16)15(17)8-12;1-19-5-4-12(18-19)9-20-8-11(7-17-20)10-2-3-13(15)14(16)6-10;10-8-2-1-6(3-9(8)11)7-4-12-13-5-7;7-4-1-2-5(8)6(9)3-4/h4-5,8-10H,6-7,11H2,1-3H3;2-8H,9H2,1H3;1-5H,(H,12,13);1-3H.

What are the key properties of 4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole?

4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole has a molecular weight of 1089.48 g/mol, XLogP of 15.95, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1,2-dichlorobenzene;4-(3,4-dichlorophenyl)-1H-pyrazole;2-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3,4-dichlorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole is sourced from PubChem (CID 161480314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).