C112H100F30N18O7S6 — CID 159259712
cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone;(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-phenylmethanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 159259712) has the molecular formula C112H100F30N18O7S6 and a molecular weight of 2572.49 g/mol. Its IUPAC name is cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone;(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-phenylmethanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.
| Compound Name | cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone;(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-phenylmethanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone |
|---|---|
| PubChem CID | 159259712 |
| Molecular Formula | C112H100F30N18O7S6 |
| Molecular Weight | 2572.49 g/mol |
| Exact Mass | 2570.59 |
| IUPAC Name | cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone;(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-phenylmethanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone |
| SMILES | Cn1nc(-c2ccc(C(=O)C3CCCCC3)cc2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(C(F)(F)F)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(F)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)c3ccc(F)cc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)c3ccccc3)s2)cc1C(F)(F)F |
| InChI | InChI=1S/C18H19F3N2O.2C16H15F6N3OS.C16H10F4N2OS.C16H11F3N2OS.2C15H15F4N3OS/c1-23-16(18(19,20)21)11-15(22-23)12-7-9-14(10-8-12)17(24)13-5-3-2-4-6-13;1-24-13(16(20,21)22)8-10(23-24)11-2-3-12(27-11)14(26)25-6-4-9(5-7-25)15(17,18)19;1-24-13(16(20,21)22)7-10(23-24)11-4-5-12(27-11)14(26)25-6-2-3-9(8-25)15(17,18)19;1-22-14(16(18,19)20)8-11(21-22)12-6-7-13(24-12)15(23)9-2-4-10(17)5-3-9;1-21-14(16(17,18)19)9-11(20-21)12-7-8-13(23-12)15(22)10-5-3-2-4-6-10;1-21-13(15(17,18)19)8-10(20-21)11-2-3-12(24-11)14(23)22-6-4-9(16)5-7-22;1-21-13(15(17,18)19)7-10(20-21)11-4-5-12(24-11)14(23)22-6-2-3-9(16)8-22/h7-11,13H,2-6H2,1H3;2-3,8-9H,4-7H2,1H3;4-5,7,9H,2-3,6,8H2,1H3;2-8H,1H3;2-9H,1H3;2-3,8-9H,4-7H2,1H3;4-5,7,9H,2-3,6,8H2,1H3 |
| InChIKey | KWISAOUYQMMGGG-UHFFFAOYSA-N |
| XLogP | 30.45 |
| TPSA | 257.19 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 173 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2572.49 |
| LogP ≤ 5 | 30.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |