1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine

C167H128Br2Cl6F6N31O15S+ — CID 158570217

About 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine

1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine (PubChem CID 158570217) has the molecular formula C167H128Br2Cl6F6N31O15S+ and a molecular weight of 3327.64 g/mol. Its IUPAC name is 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine.

Molecular Properties

• Compound Name: 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine
• PubChem CID: 158570217
• Molecular Formula: C167H128Br2Cl6F6N31O15S+
• Molecular Weight: 3327.64 g/mol
• Exact Mass: 3320.63
• IUPAC Name: 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine
• SMILES: C[n+]1cocc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.Cc1ncsc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.O=C(Nc1n[nH]c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccno1.O=C(Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccoc1.O=[N+]([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12.O=[N+]([O-])c1cn(Cc2ccccc2)c2ccc(Br)cc12
• InChI: InChI=1S/C20H16ClN3O2.C19H15ClN4O2.C19H15ClN4OS.C19H14ClN3O2.C18H13ClN4O2.C16H10BrF3N2O2.C15H11BrN2O2.C15H12F3N3.C14H12ClN3.C12H9N3O2/c1-13-16(10-11-26-13)20(25)22-19-17-4-2-3-5-18(17)24(23-19)12-14-6-8-15(21)9-7-14;1-23-12-26-11-17(23)19(25)21-18-15-4-2-3-5-16(15)24(22-18)10-13-6-8-14(20)9-7-13;1-12-17(26-11-21-12)19(25)22-18-15-4-2-3-5-16(15)24(23-18)10-13-6-8-14(20)9-7-13;20-15-7-5-13(6-8-15)11-23-17-4-2-1-3-16(17)18(22-23)21-19(24)14-9-10-25-12-14;19-13-7-5-12(6-8-13)11-23-15-4-2-1-3-14(15)17(22-23)21-18(24)16-9-10-20-25-16;17-12-5-6-14-13(7-12)15(22(23)24)9-21(14)8-10-1-3-11(4-2-10)16(18,19)20;16-12-6-7-14-13(8-12)15(18(19)20)10-17(14)9-11-4-2-1-3-5-11;16-15(17,18)11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(19)20-21;15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(16)17-18;16-12(8-5-6-17-7-8)13-11-9-3-1-2-4-10(9)14-15-11/h2-11H,12H2,1H3,(H,22,23,25);2-9,11-12H,10H2,1H3;2-9,11H,10H2,1H3,(H,22,23,25);1-10,12H,11H2,(H,21,22,24);1-10H,11H2,(H,21,22,24);1-7,9H,8H2;1-8,10H,9H2;1-8H,9H2,(H2,19,20);1-8H,9H2,(H2,16,17);1-7H,(H2,13,14,15,16)/p+1
• InChIKey: FCXYFFQGNHFDGM-UHFFFAOYSA-O
• XLogP: 40.77
• TPSA: 571.56 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3327.64
LogP ≤ 5	40.77
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine?

The IUPAC name of 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine (CID 158570217) is 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine.

What is the SMILES notation for 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine?

The canonical SMILES for 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine is C[n+]1cocc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.Cc1ncsc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.O=C(Nc1n[nH]c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccno1.O=C(Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccoc1.O=[N+]([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12.O=[N+]([O-])c1cn(Cc2ccccc2)c2ccc(Br)cc12.

What is the InChIKey of 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine?

The InChIKey is FCXYFFQGNHFDGM-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H16ClN3O2.C19H15ClN4O2.C19H15ClN4OS.C19H14ClN3O2.C18H13ClN4O2.C16H10BrF3N2O2.C15H11BrN2O2.C15H12F3N3.C14H12ClN3.C12H9N3O2/c1-13-16(10-11-26-13)20(25)22-19-17-4-2-3-5-18(17)24(23-19)12-14-6-8-15(21)9-7-14;1-23-12-26-11-17(23)19(25)21-18-15-4-2-3-5-16(15)24(22-18)10-13-6-8-14(20)9-7-13;1-12-17(26-11-21-12)19(25)22-18-15-4-2-3-5-16(15)24(23-18)10-13-6-8-14(20)9-7-13;20-15-7-5-13(6-8-15)11-23-17-4-2-1-3-16(17)18(22-23)21-19(24)14-9-10-25-12-14;19-13-7-5-12(6-8-13)11-23-15-4-2-1-3-14(15)17(22-23)21-18(24)16-9-10-20-25-16;17-12-5-6-14-13(7-12)15(22(23)24)9-21(14)8-10-1-3-11(4-2-10)16(18,19)20;16-12-6-7-14-13(8-12)15(18(19)20)10-17(14)9-11-4-2-1-3-5-11;16-15(17,18)11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(19)20-21;15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(16)17-18;16-12(8-5-6-17-7-8)13-11-9-3-1-2-4-10(9)14-15-11/h2-11H,12H2,1H3,(H,22,23,25);2-9,11-12H,10H2,1H3;2-9,11H,10H2,1H3,(H,22,23,25);1-10,12H,11H2,(H,21,22,24);1-10H,11H2,(H,21,22,24);1-7,9H,8H2;1-8,10H,9H2;1-8H,9H2,(H2,19,20);1-8H,9H2,(H2,16,17);1-7H,(H2,13,14,15,16)/p+1.

What are the key properties of 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine?

1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine has a molecular weight of 3327.64 g/mol, XLogP of 40.77, 32 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-bromo-3-nitroindole;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-2-methylfuran-3-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-(1H-indazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine is sourced from PubChem (CID 158570217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).