2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone

C114H78ClF27N24O13S7 — CID 158597325

About 2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone

2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone (PubChem CID 158597325) has the molecular formula C114H78ClF27N24O13S7 and a molecular weight of 2764.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone
• PubChem CID: 158597325
• Molecular Formula: C114H78ClF27N24O13S7
• Molecular Weight: 2764.90 g/mol
• Exact Mass: 2762.35
• IUPAC Name: 2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone
• SMILES: CCc1cc(-c2sc(C(=O)Nc3c(F)cccc3F)cc2[N+](=O)[O-])n(CC)n1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cncc2F)s1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2F)s1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccncc2F)s1.Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Cc2ccccc2Cl)cc1[N+](=O)[O-].Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Cc2ccccc2F)cc1[N+](=O)[O-]
• InChI: InChI=1S/C18H16F2N4O3S.C17H11ClF3N3O3S.C17H11F4N3O3S.C16H10F5N3OS.C16H11F4N3OS.C15H9F5N4OS.C15H10F4N4OS/c1-3-10-8-13(23(4-2)22-10)17-14(24(26)27)9-15(28-17)18(25)21-16-11(19)6-5-7-12(16)20;2*1-23-11(8-15(22-23)17(19,20)21)16-12(24(26)27)7-14(28-16)13(25)6-9-4-2-3-5-10(9)18;1-24-10(7-12(23-24)16(19,20)21)11-5-6-13(26-11)22-15(25)14-8(17)3-2-4-9(14)18;1-23-11(8-13(22-23)16(18,19)20)12-6-7-14(25-12)21-15(24)9-4-2-3-5-10(9)17;1-24-9(4-11(23-24)15(18,19)20)10-2-3-12(26-10)22-14(25)13-7(16)5-21-6-8(13)17;1-23-10(6-12(22-23)15(17,18)19)11-2-3-13(25-11)21-14(24)8-4-5-20-7-9(8)16/h5-9H,3-4H2,1-2H3,(H,21,25);2*2-5,7-8H,6H2,1H3;2-7H,1H3,(H,22,25);2-8H,1H3,(H,21,24);2-6H,1H3,(H,22,25);2-7H,1H3,(H,21,24)
• InChIKey: HVERYCPLGJNEDF-UHFFFAOYSA-N
• XLogP: 31.73
• TPSA: 459.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2764.90
LogP ≤ 5	31.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

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 2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone?

The IUPAC name of 2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone (CID 158597325) is 2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone.

What is the SMILES notation for 2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone?

The canonical SMILES for 2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone is CCc1cc(-c2sc(C(=O)Nc3c(F)cccc3F)cc2[N+](=O)[O-])n(CC)n1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cncc2F)s1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2F)s1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccncc2F)s1.Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Cc2ccccc2Cl)cc1[N+](=O)[O-].Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Cc2ccccc2F)cc1[N+](=O)[O-].

What is the InChIKey of 2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone?

The InChIKey is HVERYCPLGJNEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3S.C17H11ClF3N3O3S.C17H11F4N3O3S.C16H10F5N3OS.C16H11F4N3OS.C15H9F5N4OS.C15H10F4N4OS/c1-3-10-8-13(23(4-2)22-10)17-14(24(26)27)9-15(28-17)18(25)21-16-11(19)6-5-7-12(16)20;2*1-23-11(8-15(22-23)17(19,20)21)16-12(24(26)27)7-14(28-16)13(25)6-9-4-2-3-5-10(9)18;1-24-10(7-12(23-24)16(19,20)21)11-5-6-13(26-11)22-15(25)14-8(17)3-2-4-9(14)18;1-23-11(8-13(22-23)16(18,19)20)12-6-7-14(25-12)21-15(24)9-4-2-3-5-10(9)17;1-24-9(4-11(23-24)15(18,19)20)10-2-3-12(26-10)22-14(25)13-7(16)5-21-6-8(13)17;1-23-10(6-12(22-23)15(17,18)19)11-2-3-13(25-11)21-14(24)8-4-5-20-7-9(8)16/h5-9H,3-4H2,1-2H3,(H,21,25);2*2-5,7-8H,6H2,1H3;2-7H,1H3,(H,22,25);2-8H,1H3,(H,21,24);2-6H,1H3,(H,22,25);2-7H,1H3,(H,21,24).

What are the key properties of 2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone?

2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone has a molecular weight of 2764.90 g/mol, XLogP of 31.73, 28 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone;5-(1,3-diethylpyrazol-5-yl)-N-(2,6-difluorophenyl)-4-nitrothiophene-2-carboxamide;2,6-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3,5-difluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide;3-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]pyridine-4-carboxamide;2-(2-fluorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-nitrothiophen-2-yl]ethanone is sourced from PubChem (CID 158597325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).