5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid

C50H35BBr3Cl5F6N12O6Se4 — CID 159448805

About 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid

5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid (PubChem CID 159448805) has the molecular formula C50H35BBr3Cl5F6N12O6Se4 and a molecular weight of 1757.52 g/mol. Its IUPAC name is 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid.

Molecular Properties

• Compound Name: 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid
• PubChem CID: 159448805
• Molecular Formula: C50H35BBr3Cl5F6N12O6Se4
• Molecular Weight: 1757.52 g/mol
• Exact Mass: 1755.55
• IUPAC Name: 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid
• SMILES: Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)[se]1.Cn1nc(C(F)(F)F)cc1B(O)O.Nc1ncc(Br)[se]1.O=C(Cl)c1ccccc1Cl.O=C(Nc1ncc(Br)[se]1)c1ccccc1Cl.O=C(Nc1ncc(Br)[se]1)c1ccccc1Cl
• InChI: InChI=1S/C15H10ClF3N4OSe.2C10H6BrClN2OSe.C7H4Cl2O.C5H6BF3N2O2.C3H3BrN2Se/c1-23-10(6-12(22-23)15(17,18)19)11-7-20-14(25-11)21-13(24)8-4-2-3-5-9(8)16;2*11-8-5-13-10(16-8)14-9(15)6-3-1-2-4-7(6)12;8-6-4-2-1-3-5(6)7(9)10;1-11-4(6(12)13)2-3(10-11)5(7,8)9;4-2-1-6-3(5)7-2/h2-7H,1H3,(H,20,21,24);2*1-5H,(H,13,14,15);1-4H;2,12-13H,1H3;1H,(H2,5,6)
• InChIKey: LTCFKLQYEHXGGD-UHFFFAOYSA-N
• XLogP: 11.40
• TPSA: 258.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1757.52
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

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 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid?

The IUPAC name of 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid (CID 159448805) is 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid.

What is the SMILES notation for 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid?

The canonical SMILES for 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid is Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)[se]1.Cn1nc(C(F)(F)F)cc1B(O)O.Nc1ncc(Br)[se]1.O=C(Cl)c1ccccc1Cl.O=C(Nc1ncc(Br)[se]1)c1ccccc1Cl.O=C(Nc1ncc(Br)[se]1)c1ccccc1Cl.

What is the InChIKey of 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid?

The InChIKey is LTCFKLQYEHXGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4OSe.2C10H6BrClN2OSe.C7H4Cl2O.C5H6BF3N2O2.C3H3BrN2Se/c1-23-10(6-12(22-23)15(17,18)19)11-7-20-14(25-11)21-13(24)8-4-2-3-5-9(8)16;2*11-8-5-13-10(16-8)14-9(15)6-3-1-2-4-7(6)12;8-6-4-2-1-3-5(6)7(9)10;1-11-4(6(12)13)2-3(10-11)5(7,8)9;4-2-1-6-3(5)7-2/h2-7H,1H3,(H,20,21,24);2*1-5H,(H,13,14,15);1-4H;2,12-13H,1H3;1H,(H2,5,6).

What are the key properties of 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid?

5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid has a molecular weight of 1757.52 g/mol, XLogP of 11.40, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1,3-selenazol-2-amine;bis(N-(5-bromo-1,3-selenazol-2-yl)-2-chlorobenzamide);2-chlorobenzoyl chloride;2-chloro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-selenazol-2-yl]benzamide;[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]boronic acid is sourced from PubChem (CID 159448805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).