5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide

C93H63Br2F21N16O6S2 — CID 161019456

About 5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide

5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide (PubChem CID 161019456) has the molecular formula C93H63Br2F21N16O6S2 and a molecular weight of 2123.53 g/mol. Its IUPAC name is 5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
• PubChem CID: 161019456
• Molecular Formula: C93H63Br2F21N16O6S2
• Molecular Weight: 2123.53 g/mol
• Exact Mass: 2120.26
• IUPAC Name: 5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
• SMILES: Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cc(C(F)(F)F)ccc12.Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cc(Br)cc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccs1.O=[N+]([O-])c1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12
• InChI: InChI=1S/C22H15F6N3O2.C20H15F3N4OS.C20H14F3N3OS.C16H10BrF6N3.C15H9BrF3N3O2/c1-12-16(8-9-33-12)20(32)29-19-17-7-6-15(22(26,27)28)10-18(17)31(30-19)11-13-2-4-14(5-3-13)21(23,24)25;1-12-17(29-11-24-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;21-20(22,23)14-9-7-13(8-10-14)12-26-16-5-2-1-4-15(16)18(25-26)24-19(27)17-6-3-11-28-17;17-10-5-11-13(12(6-10)16(21,22)23)26(25-14(11)24)7-8-1-3-9(4-2-8)15(18,19)20;16-11-5-6-13-12(7-11)14(22(23)24)20-21(13)8-9-1-3-10(4-2-9)15(17,18)19/h2-10H,11H2,1H3,(H,29,30,32);2-9,11H,10H2,1H3,(H,25,26,28);1-11H,12H2,(H,24,25,27);1-6H,7H2,(H2,24,25);1-7H,8H2
• InChIKey: TYEBTZHRUVZVCM-UHFFFAOYSA-N
• XLogP: 27.05
• TPSA: 271.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2123.53
LogP ≤ 5	27.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?

The IUPAC name of 5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide (CID 161019456) is 5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide is Cc1ncsc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cc(C(F)(F)F)ccc12.Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cc(Br)cc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccs1.O=[N+]([O-])c1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12.

What is the InChIKey of 5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?

The InChIKey is TYEBTZHRUVZVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F6N3O2.C20H15F3N4OS.C20H14F3N3OS.C16H10BrF6N3.C15H9BrF3N3O2/c1-12-16(8-9-33-12)20(32)29-19-17-7-6-15(22(26,27)28)10-18(17)31(30-19)11-13-2-4-14(5-3-13)21(23,24)25;1-12-17(29-11-24-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;21-20(22,23)14-9-7-13(8-10-14)12-26-16-5-2-1-4-15(16)18(25-26)24-19(27)17-6-3-11-28-17;17-10-5-11-13(12(6-10)16(21,22)23)26(25-14(11)24)7-8-1-3-9(4-2-8)15(18,19)20;16-11-5-6-13-12(7-11)14(22(23)24)20-21(13)8-9-1-3-10(4-2-9)15(17,18)19/h2-10H,11H2,1H3,(H,29,30,32);2-9,11H,10H2,1H3,(H,25,26,28);1-11H,12H2,(H,24,25,27);1-6H,7H2,(H2,24,25);1-7H,8H2.

What are the key properties of 5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide?

5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide has a molecular weight of 2123.53 g/mol, XLogP of 27.05, 17 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indazole;5-bromo-7-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-5-carboxamide;2-methyl-N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 161019456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).