C86H82F15N17O7S4 — CID 159228723
N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(3-imidazol-1-ylpropyl)-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 159228723) has the molecular formula C86H82F15N17O7S4 and a molecular weight of 1878.95 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(3-imidazol-1-ylpropyl)-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopenta-1,3-diene-1-carboxamide.
| Compound Name | N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(3-imidazol-1-ylpropyl)-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopenta-1,3-diene-1-carboxamide |
|---|---|
| PubChem CID | 159228723 |
| Molecular Formula | C86H82F15N17O7S4 |
| Molecular Weight | 1878.95 g/mol |
| Exact Mass | 1877.52 |
| IUPAC Name | N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;N-ethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;N-(2-hydroxyethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide;[(3R)-3-hydroxypyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;N-(3-imidazol-1-ylpropyl)-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]cyclopenta-1,3-diene-1-carboxamide |
| SMILES | CCN(C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)c1ccccc1.Cc1cc(C)cc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)c1.Cn1nc(-c2ccc(C(=O)N(CCO)c3ccccc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CC[C@@H](O)C3)s2)cc1C(F)(F)F.Cn1nc(C2=CC=C(C(=O)NCCCn3ccnc3)C2)cc1C(F)(F)F |
| InChI | InChI=1S/C19H18F3N3OS.C18H16F3N3O2S.C18H16F3N3OS.C17H18F3N5O.C14H14F3N3O2S/c1-11-6-12(2)8-13(7-11)10-23-18(26)16-5-4-15(27-16)14-9-17(19(20,21)22)25(3)24-14;1-23-16(18(19,20)21)11-13(22-23)14-7-8-15(27-14)17(26)24(9-10-25)12-5-3-2-4-6-12;1-3-24(12-7-5-4-6-8-12)17(25)15-10-9-14(26-15)13-11-16(18(19,20)21)23(2)22-13;1-24-15(17(18,19)20)10-14(23-24)12-3-4-13(9-12)16(26)22-5-2-7-25-8-6-21-11-25;1-19-12(14(15,16)17)6-9(18-19)10-2-3-11(23-10)13(22)20-5-4-8(21)7-20/h4-9H,10H2,1-3H3,(H,23,26);2-8,11,25H,9-10H2,1H3;4-11H,3H2,1-2H3;3-4,6,8,10-11H,2,5,7,9H2,1H3,(H,22,26);2-3,6,8,21H,4-5,7H2,1H3/t;;;;8-/m....1/s1 |
| InChIKey | KSPVHALGEMKMBF-XYTDPLJASA-N |
| XLogP | 18.28 |
| TPSA | 266.51 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 129 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1878.95 |
| LogP ≤ 5 | 18.28 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|