2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine

C68H65BBrClF4N24O4S4 — CID 158230244

About 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine

2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine (PubChem CID 158230244) has the molecular formula C68H65BBrClF4N24O4S4 and a molecular weight of 1612.86 g/mol. Its IUPAC name is 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine
• PubChem CID: 158230244
• Molecular Formula: C68H65BBrClF4N24O4S4
• Molecular Weight: 1612.86 g/mol
• Exact Mass: 1610.34
• IUPAC Name: 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide;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.CCc1nn(-c2nccs2)cc1-c1cnc(N)cn1.CCc1nn(-c2nccs2)cc1-c1cnc(N)cn1.CCc1nn(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.CCc1nn(-c2nccs2)cc1Br.O=C(Cl)c1c(F)cccc1F
• InChI: InChI=1S/C19H14F2N6OS.2C12H12N6S.C10H16BN3O2.C8H8BrN3S.C7H3ClF2O/c1-2-14-11(10-27(26-14)19-22-6-7-29-19)15-8-24-16(9-23-15)25-18(28)17-12(20)4-3-5-13(17)21;2*1-2-9-8(10-5-16-11(13)6-15-10)7-18(17-9)12-14-3-4-19-12;1-9(2)10(3,4)16-11(15-9)7-5-14-8(12)6-13-7;1-2-7-6(9)5-12(11-7)8-10-3-4-13-8;8-7(11)6-4(9)2-1-3-5(6)10/h3-10H,2H2,1H3,(H,24,25,28);2*3-7H,2H2,1H3,(H2,13,16);5-6H,1-4H3,(H2,12,14);3-5H,2H2,1H3;1-3H
• InChIKey: GEHFQKUNTYLMOH-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 368.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1612.86
LogP ≤ 5	13.10
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-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine?

The IUPAC name of 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine (CID 158230244) is 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide;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-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine?

The canonical SMILES for 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide;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.CCc1nn(-c2nccs2)cc1-c1cnc(N)cn1.CCc1nn(-c2nccs2)cc1-c1cnc(N)cn1.CCc1nn(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.CCc1nn(-c2nccs2)cc1Br.O=C(Cl)c1c(F)cccc1F.

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

The InChIKey is GEHFQKUNTYLMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6OS.2C12H12N6S.C10H16BN3O2.C8H8BrN3S.C7H3ClF2O/c1-2-14-11(10-27(26-14)19-22-6-7-29-19)15-8-24-16(9-23-15)25-18(28)17-12(20)4-3-5-13(17)21;2*1-2-9-8(10-5-16-11(13)6-15-10)7-18(17-9)12-14-3-4-19-12;1-9(2)10(3,4)16-11(15-9)7-5-14-8(12)6-13-7;1-2-7-6(9)5-12(11-7)8-10-3-4-13-8;8-7(11)6-4(9)2-1-3-5(6)10/h3-10H,2H2,1H3,(H,24,25,28);2*3-7H,2H2,1H3,(H2,13,16);5-6H,1-4H3,(H2,12,14);3-5H,2H2,1H3;1-3H.

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

2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine has a molecular weight of 1612.86 g/mol, XLogP of 13.10, 15 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-3-ethylpyrazol-1-yl)-1,3-thiazole;2,6-difluorobenzoyl chloride;bis(5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-amine);N-[5-[3-ethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]-2,6-difluorobenzamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 158230244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).