2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C52H70B3BrN8O8 — CID 159138640

About 2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 159138640) has the molecular formula C52H70B3BrN8O8 and a molecular weight of 1047.52 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
• PubChem CID: 159138640
• Molecular Formula: C52H70B3BrN8O8
• Molecular Weight: 1047.52 g/mol
• Exact Mass: 1046.48
• IUPAC Name: 2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-c1cc2nc(C(=O)N(C)C)cc(C)n2n1.Cc1cc(Br)ccc1-c1cc2nc(C(=O)N(C)C)cc(C)n2n1
• InChI: InChI=1S/C23H29BN4O3.C17H17BrN4O.C12H24B2O4/c1-14-11-16(24-30-22(3,4)23(5,6)31-24)9-10-17(14)18-13-20-25-19(21(29)27(7)8)12-15(2)28(20)26-18;1-10-7-12(18)5-6-13(10)14-9-16-19-15(17(23)21(3)4)8-11(2)22(16)20-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h9-13H,1-8H3;5-9H,1-4H3;1-8H3
• InChIKey: KHUYUEHRFRJSLX-UHFFFAOYSA-N
• XLogP: 8.74
• TPSA: 156.38 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1047.52
LogP ≤ 5	8.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The IUPAC name of 2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 159138640) is 2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The canonical SMILES for 2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1-c1cc2nc(C(=O)N(C)C)cc(C)n2n1.Cc1cc(Br)ccc1-c1cc2nc(C(=O)N(C)C)cc(C)n2n1.

What is the InChIKey of 2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

The InChIKey is KHUYUEHRFRJSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BN4O3.C17H17BrN4O.C12H24B2O4/c1-14-11-16(24-30-22(3,4)23(5,6)31-24)9-10-17(14)18-13-20-25-19(21(29)27(7)8)12-15(2)28(20)26-18;1-10-7-12(18)5-6-13(10)14-9-16-19-15(17(23)21(3)4)8-11(2)22(16)20-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h9-13H,1-8H3;5-9H,1-4H3;1-8H3.

What are the key properties of 2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?

2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 1047.52 g/mol, XLogP of 8.74, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-2-methylphenyl)-N,N,7-trimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;N,N,7-trimethyl-2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 159138640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).