1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C60H75BBr2N10O5 — CID 161321123

About 1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 161321123) has the molecular formula C60H75BBr2N10O5 and a molecular weight of 1186.94 g/mol. Its IUPAC name is 1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 161321123
• Molecular Formula: C60H75BBr2N10O5
• Molecular Weight: 1186.94 g/mol
• Exact Mass: 1184.44
• IUPAC Name: 1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC1(C)OB(c2cnn(C3CCCCO3)c2)OC1(C)C.Cc1cc(-c2cn[nH]c2)c(C)cc1-c1cn[nH]c1.Cc1cc(-c2cnn(C3CCCCO3)c2)c(C)cc1-c1cnn(C2CCCCO2)c1.Cc1cc(Br)c(C)cc1Br
• InChI: InChI=1S/C24H30N4O2.C14H23BN2O3.C14H14N4.C8H8Br2/c1-17-11-22(20-14-26-28(16-20)24-8-4-6-10-30-24)18(2)12-21(17)19-13-25-27(15-19)23-7-3-5-9-29-23;1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12;1-9-3-14(12-7-17-18-8-12)10(2)4-13(9)11-5-15-16-6-11;1-5-3-8(10)6(2)4-7(5)9/h11-16,23-24H,3-10H2,1-2H3;9-10,12H,5-8H2,1-4H3;3-8H,1-2H3,(H,15,16)(H,17,18);3-4H,1-2H3
• InChIKey: VKDUDXQCWSRUEV-UHFFFAOYSA-N
• XLogP: 14.22
• TPSA: 156.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1186.94
LogP ≤ 5	14.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 161321123) is 1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC1(C)OB(c2cnn(C3CCCCO3)c2)OC1(C)C.Cc1cc(-c2cn[nH]c2)c(C)cc1-c1cn[nH]c1.Cc1cc(-c2cnn(C3CCCCO3)c2)c(C)cc1-c1cnn(C2CCCCO2)c1.Cc1cc(Br)c(C)cc1Br.

What is the InChIKey of 1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is VKDUDXQCWSRUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2.C14H23BN2O3.C14H14N4.C8H8Br2/c1-17-11-22(20-14-26-28(16-20)24-8-4-6-10-30-24)18(2)12-21(17)19-13-25-27(15-19)23-7-3-5-9-29-23;1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12;1-9-3-14(12-7-17-18-8-12)10(2)4-13(9)11-5-15-16-6-11;1-5-3-8(10)6(2)4-7(5)9/h11-16,23-24H,3-10H2,1-2H3;9-10,12H,5-8H2,1-4H3;3-8H,1-2H3,(H,15,16)(H,17,18);3-4H,1-2H3.

What are the key properties of 1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1186.94 g/mol, XLogP of 14.22, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dibromo-2,5-dimethylbenzene;4-[2,5-dimethyl-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole;4-[2,5-dimethyl-4-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 161321123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).