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

C49H55BrF4N8OSi — CID 159725410

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

4-bromo-1-fluoro-2-methylbenzene;4-(4-fluoro-3-methylphenyl)-1H-pyrazole;2-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole (PubChem CID 159725410) has the molecular formula C49H55BrF4N8OSi and a molecular weight of 956.02 g/mol. Its IUPAC name is 4-bromo-1-fluoro-2-methylbenzene;4-(4-fluoro-3-methylphenyl)-1H-pyrazole;2-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole.

Molecular Properties

• Compound Name: 4-bromo-1-fluoro-2-methylbenzene;4-(4-fluoro-3-methylphenyl)-1H-pyrazole;2-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole
• PubChem CID: 159725410
• Molecular Formula: C49H55BrF4N8OSi
• Molecular Weight: 956.02 g/mol
• Exact Mass: 954.34
• IUPAC Name: 4-bromo-1-fluoro-2-methylbenzene;4-(4-fluoro-3-methylphenyl)-1H-pyrazole;2-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole
• SMILES: Cc1cc(-c2cn[nH]c2)ccc1F.Cc1cc(-c2cnn(COCC[Si](C)(C)C)c2)ccc1F.Cc1cc(Br)ccc1F.Cc1cc(Cn2cc(-c3ccc(F)c(C)c3)cn2)n(C)n1
• InChI: InChI=1S/C16H17FN4.C16H23FN2OSi.C10H9FN2.C7H6BrF/c1-11-6-13(4-5-16(11)17)14-8-18-21(9-14)10-15-7-12(2)19-20(15)3;1-13-9-14(5-6-16(13)17)15-10-18-19(11-15)12-20-7-8-21(2,3)4;1-7-4-8(2-3-10(7)11)9-5-12-13-6-9;1-5-4-6(8)2-3-7(5)9/h4-9H,10H2,1-3H3;5-6,9-11H,7-8,12H2,1-4H3;2-6H,1H3,(H,12,13);2-4H,1H3
• InChIKey: NAOKPIDTUMJUIT-UHFFFAOYSA-N
• XLogP: 12.82
• 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	956.02
LogP ≤ 5	12.82
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 4-bromo-1-fluoro-2-methylbenzene;4-(4-fluoro-3-methylphenyl)-1H-pyrazole;2-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole?

The IUPAC name of 4-bromo-1-fluoro-2-methylbenzene;4-(4-fluoro-3-methylphenyl)-1H-pyrazole;2-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole (CID 159725410) is 4-bromo-1-fluoro-2-methylbenzene;4-(4-fluoro-3-methylphenyl)-1H-pyrazole;2-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole.

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

The canonical SMILES for 4-bromo-1-fluoro-2-methylbenzene;4-(4-fluoro-3-methylphenyl)-1H-pyrazole;2-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole is Cc1cc(-c2cn[nH]c2)ccc1F.Cc1cc(-c2cnn(COCC[Si](C)(C)C)c2)ccc1F.Cc1cc(Br)ccc1F.Cc1cc(Cn2cc(-c3ccc(F)c(C)c3)cn2)n(C)n1.

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

The InChIKey is NAOKPIDTUMJUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4.C16H23FN2OSi.C10H9FN2.C7H6BrF/c1-11-6-13(4-5-16(11)17)14-8-18-21(9-14)10-15-7-12(2)19-20(15)3;1-13-9-14(5-6-16(13)17)15-10-18-19(11-15)12-20-7-8-21(2,3)4;1-7-4-8(2-3-10(7)11)9-5-12-13-6-9;1-5-4-6(8)2-3-7(5)9/h4-9H,10H2,1-3H3;5-6,9-11H,7-8,12H2,1-4H3;2-6H,1H3,(H,12,13);2-4H,1H3.

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

4-bromo-1-fluoro-2-methylbenzene;4-(4-fluoro-3-methylphenyl)-1H-pyrazole;2-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole has a molecular weight of 956.02 g/mol, XLogP of 12.82, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-fluoro-2-methylbenzene;4-(4-fluoro-3-methylphenyl)-1H-pyrazole;2-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;5-[[4-(4-fluoro-3-methylphenyl)pyrazol-1-yl]methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 159725410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).