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

C64H57BBrClF4N24O4S4 — CID 158049648

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

2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine (PubChem CID 158049648) has the molecular formula C64H57BBrClF4N24O4S4 and a molecular weight of 1556.75 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine
• PubChem CID: 158049648
• Molecular Formula: C64H57BBrClF4N24O4S4
• Molecular Weight: 1556.75 g/mol
• Exact Mass: 1554.28
• IUPAC Name: 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine
• SMILES: CC1(C)OB(c2cnc(N)cn2)OC1(C)C.Cc1nn(-c2nccs2)cc1-c1cnc(N)cn1.Cc1nn(-c2nccs2)cc1-c1cnc(N)cn1.Cc1nn(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cc1nn(-c2nccs2)cc1Br.O=C(Cl)c1c(F)cccc1F
• InChI: InChI=1S/C18H12F2N6OS.2C11H10N6S.C10H16BN3O2.C7H6BrN3S.C7H3ClF2O/c1-10-11(9-26(25-10)18-21-5-6-28-18)14-7-23-15(8-22-14)24-17(27)16-12(19)3-2-4-13(16)20;2*1-7-8(9-4-15-10(12)5-14-9)6-17(16-7)11-13-2-3-18-11;1-9(2)10(3,4)16-11(15-9)7-5-14-8(12)6-13-7;1-5-6(8)4-11(10-5)7-9-2-3-12-7;8-7(11)6-4(9)2-1-3-5(6)10/h2-9H,1H3,(H,23,24,27);2*2-6H,1H3,(H2,12,15);5-6H,1-4H3,(H2,12,14);2-4H,1H3;1-3H
• InChIKey: FJIBUSUSRPCRKB-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 368.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 11
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1556.75
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

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

The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine (CID 158049648) is 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine.

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

The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine is CC1(C)OB(c2cnc(N)cn2)OC1(C)C.Cc1nn(-c2nccs2)cc1-c1cnc(N)cn1.Cc1nn(-c2nccs2)cc1-c1cnc(N)cn1.Cc1nn(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cc1nn(-c2nccs2)cc1Br.O=C(Cl)c1c(F)cccc1F.

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

The InChIKey is FJIBUSUSRPCRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N6OS.2C11H10N6S.C10H16BN3O2.C7H6BrN3S.C7H3ClF2O/c1-10-11(9-26(25-10)18-21-5-6-28-18)14-7-23-15(8-22-14)24-17(27)16-12(19)3-2-4-13(16)20;2*1-7-8(9-4-15-10(12)5-14-9)6-17(16-7)11-13-2-3-18-11;1-9(2)10(3,4)16-11(15-9)7-5-14-8(12)6-13-7;1-5-6(8)4-11(10-5)7-9-2-3-12-7;8-7(11)6-4(9)2-1-3-5(6)10/h2-9H,1H3,(H,23,24,27);2*2-6H,1H3,(H2,12,15);5-6H,1-4H3,(H2,12,14);2-4H,1H3;1-3H.

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

2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine has a molecular weight of 1556.75 g/mol, XLogP of 12.08, 11 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-3-methylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide;bis(5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 158049648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).