4-bromo-2-chloro-1-fluorobenzene;4-(3-chloro-4-fluorophenyl)-1H-pyrazole;2-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole

C44H41BrCl4F4N8OSi — CID 160797011

About 4-bromo-2-chloro-1-fluorobenzene;4-(3-chloro-4-fluorophenyl)-1H-pyrazole;2-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole

4-bromo-2-chloro-1-fluorobenzene;4-(3-chloro-4-fluorophenyl)-1H-pyrazole;2-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole (PubChem CID 160797011) has the molecular formula C44H41BrCl4F4N8OSi and a molecular weight of 1023.66 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-fluorobenzene;4-(3-chloro-4-fluorophenyl)-1H-pyrazole;2-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole.

Molecular Properties

• Compound Name: 4-bromo-2-chloro-1-fluorobenzene;4-(3-chloro-4-fluorophenyl)-1H-pyrazole;2-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole
• PubChem CID: 160797011
• Molecular Formula: C44H41BrCl4F4N8OSi
• Molecular Weight: 1023.66 g/mol
• Exact Mass: 1020.10
• IUPAC Name: 4-bromo-2-chloro-1-fluorobenzene;4-(3-chloro-4-fluorophenyl)-1H-pyrazole;2-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole
• SMILES: C[Si](C)(C)CCOCn1cc(-c2ccc(F)c(Cl)c2)cn1.Cn1ccc(Cn2cc(-c3ccc(F)c(Cl)c3)cn2)n1.Fc1ccc(-c2cn[nH]c2)cc1Cl.Fc1ccc(Br)cc1Cl
• InChI: InChI=1S/C15H20ClFN2OSi.C14H12ClFN4.C9H6ClFN2.C6H3BrClF/c1-21(2,3)7-6-20-11-19-10-13(9-18-19)12-4-5-15(17)14(16)8-12;1-19-5-4-12(18-19)9-20-8-11(7-17-20)10-2-3-14(16)13(15)6-10;10-8-3-6(1-2-9(8)11)7-4-12-13-5-7;7-4-1-2-6(9)5(8)3-4/h4-5,8-10H,6-7,11H2,1-3H3;2-8H,9H2,1H3;1-5H,(H,12,13);1-3H
• InChIKey: SCOMUSXQTIYYTC-UHFFFAOYSA-N
• XLogP: 13.89
• 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	1023.66
LogP ≤ 5	13.89
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-2-chloro-1-fluorobenzene;4-(3-chloro-4-fluorophenyl)-1H-pyrazole;2-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole?

The IUPAC name of 4-bromo-2-chloro-1-fluorobenzene;4-(3-chloro-4-fluorophenyl)-1H-pyrazole;2-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole (CID 160797011) is 4-bromo-2-chloro-1-fluorobenzene;4-(3-chloro-4-fluorophenyl)-1H-pyrazole;2-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole.

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

The canonical SMILES for 4-bromo-2-chloro-1-fluorobenzene;4-(3-chloro-4-fluorophenyl)-1H-pyrazole;2-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole is C[Si](C)(C)CCOCn1cc(-c2ccc(F)c(Cl)c2)cn1.Cn1ccc(Cn2cc(-c3ccc(F)c(Cl)c3)cn2)n1.Fc1ccc(-c2cn[nH]c2)cc1Cl.Fc1ccc(Br)cc1Cl.

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

The InChIKey is SCOMUSXQTIYYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2OSi.C14H12ClFN4.C9H6ClFN2.C6H3BrClF/c1-21(2,3)7-6-20-11-19-10-13(9-18-19)12-4-5-15(17)14(16)8-12;1-19-5-4-12(18-19)9-20-8-11(7-17-20)10-2-3-14(16)13(15)6-10;10-8-3-6(1-2-9(8)11)7-4-12-13-5-7;7-4-1-2-6(9)5(8)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-2-chloro-1-fluorobenzene;4-(3-chloro-4-fluorophenyl)-1H-pyrazole;2-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole?

4-bromo-2-chloro-1-fluorobenzene;4-(3-chloro-4-fluorophenyl)-1H-pyrazole;2-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole has a molecular weight of 1023.66 g/mol, XLogP of 13.89, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-chloro-1-fluorobenzene;4-(3-chloro-4-fluorophenyl)-1H-pyrazole;2-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;3-[[4-(3-chloro-4-fluorophenyl)pyrazol-1-yl]methyl]-1-methylpyrazole is sourced from PubChem (CID 160797011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).