5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine

C67H73BBr2F9N9O4 — CID 167705543

About 5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine

5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine (PubChem CID 167705543) has the molecular formula C67H73BBr2F9N9O4 and a molecular weight of 1409.98 g/mol. Its IUPAC name is 5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine.

Molecular Properties

• Compound Name: 5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine
• PubChem CID: 167705543
• Molecular Formula: C67H73BBr2F9N9O4
• Molecular Weight: 1409.98 g/mol
• Exact Mass: 1407.41
• IUPAC Name: 5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine
• SMILES: CCc1ccc(-n2cc(-c3ccc4[nH]cc(CC(=O)CCCC(F)(F)F)c4c3)cn2)cc1.CCc1ccc(-n2cc(B3OC(C)(C)C(C)(C)O3)cn2)cc1.NCCC(F)(F)F.Nc1c[nH]c2ccc(Br)cc12.O=C(CCCC(F)(F)F)Cc1c[nH]c2ccc(Br)cc12
• InChI: InChI=1S/C25H24F3N3O.C17H23BN2O2.C14H13BrF3NO.C8H7BrN2.C3H6F3N/c1-2-17-5-8-21(9-6-17)31-16-20(15-30-31)18-7-10-24-23(13-18)19(14-29-24)12-22(32)4-3-11-25(26,27)28;1-6-13-7-9-15(10-8-13)20-12-14(11-19-20)18-21-16(2,3)17(4,5)22-18;15-10-3-4-13-12(7-10)9(8-19-13)6-11(20)2-1-5-14(16,17)18;9-5-1-2-8-6(3-5)7(10)4-11-8;4-3(5,6)1-2-7/h5-10,13-16,29H,2-4,11-12H2,1H3;7-12H,6H2,1-5H3;3-4,7-8,19H,1-2,5-6H2;1-4,11H,10H2;1-2,7H2
• InChIKey: ZAXIYZWPLWXIGQ-UHFFFAOYSA-N
• XLogP: 17.35
• TPSA: 187.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1409.98
LogP ≤ 5	17.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine?

The IUPAC name of 5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine (CID 167705543) is 5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine.

What is the SMILES notation for 5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine?

The canonical SMILES for 5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine is CCc1ccc(-n2cc(-c3ccc4[nH]cc(CC(=O)CCCC(F)(F)F)c4c3)cn2)cc1.CCc1ccc(-n2cc(B3OC(C)(C)C(C)(C)O3)cn2)cc1.NCCC(F)(F)F.Nc1c[nH]c2ccc(Br)cc12.O=C(CCCC(F)(F)F)Cc1c[nH]c2ccc(Br)cc12.

What is the InChIKey of 5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine?

The InChIKey is ZAXIYZWPLWXIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O.C17H23BN2O2.C14H13BrF3NO.C8H7BrN2.C3H6F3N/c1-2-17-5-8-21(9-6-17)31-16-20(15-30-31)18-7-10-24-23(13-18)19(14-29-24)12-22(32)4-3-11-25(26,27)28;1-6-13-7-9-15(10-8-13)20-12-14(11-19-20)18-21-16(2,3)17(4,5)22-18;15-10-3-4-13-12(7-10)9(8-19-13)6-11(20)2-1-5-14(16,17)18;9-5-1-2-8-6(3-5)7(10)4-11-8;4-3(5,6)1-2-7/h5-10,13-16,29H,2-4,11-12H2,1H3;7-12H,6H2,1-5H3;3-4,7-8,19H,1-2,5-6H2;1-4,11H,10H2;1-2,7H2.

What are the key properties of 5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine?

5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine has a molecular weight of 1409.98 g/mol, XLogP of 17.35, 17 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-indol-3-amine;1-(5-bromo-1H-indol-3-yl)-6,6,6-trifluorohexan-2-one;1-[5-[1-(4-ethylphenyl)pyrazol-4-yl]-1H-indol-3-yl]-6,6,6-trifluorohexan-2-one;1-(4-ethylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 167705543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).