1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole

C45H43BrCl8N8OSi — CID 158999945

About 1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole

1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole (PubChem CID 158999945) has the molecular formula C45H43BrCl8N8OSi and a molecular weight of 1103.51 g/mol. Its IUPAC name is 1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole.

Molecular Properties

• Compound Name: 1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole
• PubChem CID: 158999945
• Molecular Formula: C45H43BrCl8N8OSi
• Molecular Weight: 1103.51 g/mol
• Exact Mass: 1098.00
• IUPAC Name: 1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole
• SMILES: C[Si](C)(C)CCOCn1cc(-c2ccc(Cl)cc2Cl)cn1.Cc1cc(Cn2cc(-c3ccc(Cl)cc3Cl)cn2)n(C)n1.Clc1ccc(-c2cn[nH]c2)c(Cl)c1.Clc1ccc(Br)c(Cl)c1
• InChI: InChI=1S/C15H14Cl2N4.C15H20Cl2N2OSi.C9H6Cl2N2.C6H3BrCl2/c1-10-5-13(20(2)19-10)9-21-8-11(7-18-21)14-4-3-12(16)6-15(14)17;1-21(2,3)7-6-20-11-19-10-12(9-18-19)14-5-4-13(16)8-15(14)17;10-7-1-2-8(9(11)3-7)6-4-12-13-5-6;7-5-2-1-4(8)3-6(5)9/h3-8H,9H2,1-2H3;4-5,8-10H,6-7,11H2,1-3H3;1-5H,(H,12,13);1-3H
• InChIKey: JRFIBNQTEXCUGR-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 91.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1103.51
LogP ≤ 5	16.26
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 1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?

The IUPAC name of 1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole (CID 158999945) is 1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole.

What is the SMILES notation for 1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?

The canonical SMILES for 1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole is C[Si](C)(C)CCOCn1cc(-c2ccc(Cl)cc2Cl)cn1.Cc1cc(Cn2cc(-c3ccc(Cl)cc3Cl)cn2)n(C)n1.Clc1ccc(-c2cn[nH]c2)c(Cl)c1.Clc1ccc(Br)c(Cl)c1.

What is the InChIKey of 1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?

The InChIKey is JRFIBNQTEXCUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4.C15H20Cl2N2OSi.C9H6Cl2N2.C6H3BrCl2/c1-10-5-13(20(2)19-10)9-21-8-11(7-18-21)14-4-3-12(16)6-15(14)17;1-21(2,3)7-6-20-11-19-10-12(9-18-19)14-5-4-13(16)8-15(14)17;10-7-1-2-8(9(11)3-7)6-4-12-13-5-6;7-5-2-1-4(8)3-6(5)9/h3-8H,9H2,1-2H3;4-5,8-10H,6-7,11H2,1-3H3;1-5H,(H,12,13);1-3H.

What are the key properties of 1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?

1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole has a molecular weight of 1103.51 g/mol, XLogP of 16.26, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2,4-dichlorobenzene;4-(2,4-dichlorophenyl)-1H-pyrazole;2-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(2,4-dichlorophenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 158999945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).