4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid

C100H106BBrN10O6 — CID 157467936

About 4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid

4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid (PubChem CID 157467936) has the molecular formula C100H106BBrN10O6 and a molecular weight of 1634.73 g/mol. Its IUPAC name is 4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid.

Molecular Properties

• Compound Name: 4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid
• PubChem CID: 157467936
• Molecular Formula: C100H106BBrN10O6
• Molecular Weight: 1634.73 g/mol
• Exact Mass: 1632.76
• IUPAC Name: 4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid
• SMILES: COc1cccc(-n2nc(C)c(-c3c(C)cc(C)cc3C)c2C)c1.COc1cccc(-n2nc(C)c(Br)c2C)c1.Cc1cc(C)c(-c2c(C)nn(-c3cccc(O)c3)c2C)c(C)c1.Cc1cc(C)c(B(O)O)c(C)c1.Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(C)c(-c6c(C)cc(C)cc6C)c5C)c4)cc32)c1
• InChI: InChI=1S/C38H34N4O.C21H24N2O.C20H22N2O.C12H13BrN2O.C9H13BO2/c1-23-16-17-39-36(20-23)41-34-13-8-7-12-32(34)33-15-14-31(22-35(33)41)43-30-11-9-10-29(21-30)42-28(6)38(27(5)40-42)37-25(3)18-24(2)19-26(37)4;1-13-10-14(2)20(15(3)11-13)21-16(4)22-23(17(21)5)18-8-7-9-19(12-18)24-6;1-12-9-13(2)19(14(3)10-12)20-15(4)21-22(16(20)5)17-7-6-8-18(23)11-17;1-8-12(13)9(2)15(14-8)10-5-4-6-11(7-10)16-3;1-6-4-7(2)9(10(11)12)8(3)5-6/h7-22H,1-6H3;7-12H,1-6H3;6-11,23H,1-5H3;4-7H,1-3H3;4-5,11-12H,1-3H3
• InChIKey: BURSCQGIPZYRNB-UHFFFAOYSA-N
• XLogP: 23.10
• TPSA: 177.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1634.73
LogP ≤ 5	23.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid?

The IUPAC name of 4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid (CID 157467936) is 4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid.

What is the SMILES notation for 4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid?

The canonical SMILES for 4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid is COc1cccc(-n2nc(C)c(-c3c(C)cc(C)cc3C)c2C)c1.COc1cccc(-n2nc(C)c(Br)c2C)c1.Cc1cc(C)c(-c2c(C)nn(-c3cccc(O)c3)c2C)c(C)c1.Cc1cc(C)c(B(O)O)c(C)c1.Cc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5nc(C)c(-c6c(C)cc(C)cc6C)c5C)c4)cc32)c1.

What is the InChIKey of 4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid?

The InChIKey is BURSCQGIPZYRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N4O.C21H24N2O.C20H22N2O.C12H13BrN2O.C9H13BO2/c1-23-16-17-39-36(20-23)41-34-13-8-7-12-32(34)33-15-14-31(22-35(33)41)43-30-11-9-10-29(21-30)42-28(6)38(27(5)40-42)37-25(3)18-24(2)19-26(37)4;1-13-10-14(2)20(15(3)11-13)21-16(4)22-23(17(21)5)18-8-7-9-19(12-18)24-6;1-12-9-13(2)19(14(3)10-12)20-15(4)21-22(16(20)5)17-7-6-8-18(23)11-17;1-8-12(13)9(2)15(14-8)10-5-4-6-11(7-10)16-3;1-6-4-7(2)9(10(11)12)8(3)5-6/h7-22H,1-6H3;7-12H,1-6H3;6-11,23H,1-5H3;4-7H,1-3H3;4-5,11-12H,1-3H3.

What are the key properties of 4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid?

4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid has a molecular weight of 1634.73 g/mol, XLogP of 23.10, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-1-(3-methoxyphenyl)-3,5-dimethylpyrazole;3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenol;2-[3-[3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole;1-(3-methoxyphenyl)-3,5-dimethyl-4-(2,4,6-trimethylphenyl)pyrazole;(2,4,6-trimethylphenyl)boronic acid is sourced from PubChem (CID 157467936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).