5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane

C86H102Br3F11N12 — CID 159383143

About 5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane

5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane (PubChem CID 159383143) has the molecular formula C86H102Br3F11N12 and a molecular weight of 1752.54 g/mol. Its IUPAC name is 5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane.

Molecular Properties

• Compound Name: 5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane
• PubChem CID: 159383143
• Molecular Formula: C86H102Br3F11N12
• Molecular Weight: 1752.54 g/mol
• Exact Mass: 1748.57
• IUPAC Name: 5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane
• SMILES: C.C.Cc1cnn(C(C)(C)C)c1-c1cc(F)c(F)cc1Br.Cc1cnn(C(C)(C)C)c1-c1cc(F)c(F)cc1F.Cc1cnn(C(C)(C)C)c1-c1cc(F)ccc1Br.Cc1cnn(C(C)(C)C)c1-c1cc(F)ccc1F.Cc1cnn(C(C)(C)C)c1-c1ccc(F)cc1Br.Cc1cnn(C(C)(C)C)c1-c1ccc(F)cc1F
• InChI: InChI=1S/C14H15BrF2N2.2C14H16BrFN2.C14H15F3N2.2C14H16F2N2.2CH4/c1-8-7-18-19(14(2,3)4)13(8)9-5-11(16)12(17)6-10(9)15;1-9-8-17-18(14(2,3)4)13(9)11-7-10(16)5-6-12(11)15;1-9-8-17-18(14(2,3)4)13(9)11-6-5-10(16)7-12(11)15;1-8-7-18-19(14(2,3)4)13(8)9-5-11(16)12(17)6-10(9)15;1-9-8-17-18(14(2,3)4)13(9)11-7-10(15)5-6-12(11)16;1-9-8-17-18(14(2,3)4)13(9)11-6-5-10(15)7-12(11)16;;/h5-7H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3;2*5-8H,1-4H3;2*1H4
• InChIKey: LLDXPTIAPQRWPZ-UHFFFAOYSA-N
• XLogP: 26.77
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1752.54
LogP ≤ 5	26.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane?

The IUPAC name of 5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane (CID 159383143) is 5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane.

What is the SMILES notation for 5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane?

The canonical SMILES for 5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane is C.C.Cc1cnn(C(C)(C)C)c1-c1cc(F)c(F)cc1Br.Cc1cnn(C(C)(C)C)c1-c1cc(F)c(F)cc1F.Cc1cnn(C(C)(C)C)c1-c1cc(F)ccc1Br.Cc1cnn(C(C)(C)C)c1-c1cc(F)ccc1F.Cc1cnn(C(C)(C)C)c1-c1ccc(F)cc1Br.Cc1cnn(C(C)(C)C)c1-c1ccc(F)cc1F.

What is the InChIKey of 5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane?

The InChIKey is LLDXPTIAPQRWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrF2N2.2C14H16BrFN2.C14H15F3N2.2C14H16F2N2.2CH4/c1-8-7-18-19(14(2,3)4)13(8)9-5-11(16)12(17)6-10(9)15;1-9-8-17-18(14(2,3)4)13(9)11-7-10(16)5-6-12(11)15;1-9-8-17-18(14(2,3)4)13(9)11-6-5-10(16)7-12(11)15;1-8-7-18-19(14(2,3)4)13(8)9-5-11(16)12(17)6-10(9)15;1-9-8-17-18(14(2,3)4)13(9)11-7-10(15)5-6-12(11)16;1-9-8-17-18(14(2,3)4)13(9)11-6-5-10(15)7-12(11)16;;/h5-7H,1-4H3;2*5-8H,1-4H3;5-7H,1-4H3;2*5-8H,1-4H3;2*1H4.

What are the key properties of 5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane?

5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane has a molecular weight of 1752.54 g/mol, XLogP of 26.77, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-bromo-4,5-difluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-4-fluorophenyl)-1-tert-butyl-4-methylpyrazole;5-(2-bromo-5-fluorophenyl)-1-tert-butyl-4-methylpyrazole;1-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyrazole;1-tert-butyl-5-(2,5-difluorophenyl)-4-methylpyrazole;1-tert-butyl-4-methyl-5-(2,4,5-trifluorophenyl)pyrazole;methane is sourced from PubChem (CID 159383143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).