4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C80H78BBr3ClF4N23O4S5 — CID 158826108

About 4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 158826108) has the molecular formula C80H78BBr3ClF4N23O4S5 and a molecular weight of 1947.96 g/mol. Its IUPAC name is 4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 158826108
• Molecular Formula: C80H78BBr3ClF4N23O4S5
• Molecular Weight: 1947.96 g/mol
• Exact Mass: 1943.25
• IUPAC Name: 4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Cc1[nH]ncc1Br.Cc1cnc(-n2cc(-c3ccc(N)nc3)c(C)n2)s1.Cc1cnc(-n2cc(-c3ccc(N)nc3)c(C)n2)s1.Cc1cnc(-n2cc(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)c(C)n2)s1.Cc1cnc(-n2cc(Br)c(C)n2)s1.Cc1cnc(Br)s1.O=C(Cl)c1c(F)cccc1F
• InChI: InChI=1S/C20H15F2N5OS.2C13H13N5S.C11H17BN2O2.C8H8BrN3S.C7H3ClF2O.C4H5BrN2.C4H4BrNS/c1-11-8-24-20(29-11)27-10-14(12(2)26-27)13-6-7-17(23-9-13)25-19(28)18-15(21)4-3-5-16(18)22;2*1-8-5-16-13(19-8)18-7-11(9(2)17-18)10-3-4-12(14)15-6-10;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-5-3-10-8(13-5)12-4-7(9)6(2)11-12;8-7(11)6-4(9)2-1-3-5(6)10;1-3-4(5)2-6-7-3;1-3-2-6-4(5)7-3/h3-10H,1-2H3,(H,23,25,28);2*3-7H,1-2H3,(H2,14,15);5-7H,1-4H3,(H2,13,14);3-4H,1-2H3;1-3H;2H,1H3,(H,6,7);2H,1H3
• InChIKey: IWMAFQWCKUYKJY-UHFFFAOYSA-N
• XLogP: 19.43
• TPSA: 358.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 11
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1947.96
LogP ≤ 5	19.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 158826108) is 4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for 4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CC1(C)OB(c2ccc(N)nc2)OC1(C)C.Cc1[nH]ncc1Br.Cc1cnc(-n2cc(-c3ccc(N)nc3)c(C)n2)s1.Cc1cnc(-n2cc(-c3ccc(N)nc3)c(C)n2)s1.Cc1cnc(-n2cc(-c3ccc(NC(=O)c4c(F)cccc4F)nc3)c(C)n2)s1.Cc1cnc(-n2cc(Br)c(C)n2)s1.Cc1cnc(Br)s1.O=C(Cl)c1c(F)cccc1F.

What is the InChIKey of 4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is IWMAFQWCKUYKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5OS.2C13H13N5S.C11H17BN2O2.C8H8BrN3S.C7H3ClF2O.C4H5BrN2.C4H4BrNS/c1-11-8-24-20(29-11)27-10-14(12(2)26-27)13-6-7-17(23-9-13)25-19(28)18-15(21)4-3-5-16(18)22;2*1-8-5-16-13(19-8)18-7-11(9(2)17-18)10-3-4-12(14)15-6-10;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;1-5-3-10-8(13-5)12-4-7(9)6(2)11-12;8-7(11)6-4(9)2-1-3-5(6)10;1-3-4(5)2-6-7-3;1-3-2-6-4(5)7-3/h3-10H,1-2H3,(H,23,25,28);2*3-7H,1-2H3,(H2,14,15);5-7H,1-4H3,(H2,13,14);3-4H,1-2H3;1-3H;2H,1H3,(H,6,7);2H,1H3.

What are the key properties of 4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 1947.96 g/mol, XLogP of 19.43, 11 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-5-methyl-1H-pyrazole;2-(4-bromo-3-methylpyrazol-1-yl)-5-methyl-1,3-thiazole;2-bromo-5-methyl-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide;bis(5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]pyridin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 158826108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).