C85H94F16N18O4 — CID 158374579
1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one (PubChem CID 158374579) has the molecular formula C85H94F16N18O4 and a molecular weight of 1735.78 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one.
| Compound Name | 1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one |
|---|---|
| PubChem CID | 158374579 |
| Molecular Formula | C85H94F16N18O4 |
| Molecular Weight | 1735.78 g/mol |
| Exact Mass | 1734.74 |
| IUPAC Name | 1-(4-fluorophenyl)-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]-5-propan-2-ylpyrazole;1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-amine;4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]butan-1-ol;1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one;3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]oxolan-2-one |
| SMILES | CC(C)c1c(N)cnn1-c1ccc(F)cc1.CCCC(Cc1cnn(-c2ccc(F)cc2)c1C(C)C)n1cc(C(F)(F)F)nc1C.Cc1nc(C(F)(F)F)cn1C(CCO)Cc1cnn(-c2ccc(F)cc2)c1C(C)C.Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(F)cc3)c2C(C)C)C1=O.Cc1nc(C(F)(F)F)cn1C1CCOC1=O |
| InChI | InChI=1S/C22H26F4N4.C21H21F4N5O.C21H24F4N4O.C12H14FN3.C9H9F3N2O2/c1-5-6-19(29-13-20(22(24,25)26)28-15(29)4)11-16-12-27-30(21(16)14(2)3)18-9-7-17(23)8-10-18;1-12(2)19-17(10-26-30(19)15-6-4-14(22)5-7-15)28-9-8-16(20(28)31)29-11-18(21(23,24)25)27-13(29)3;1-13(2)20-15(11-26-29(20)17-6-4-16(22)5-7-17)10-18(8-9-30)28-12-19(21(23,24)25)27-14(28)3;1-8(2)12-11(14)7-15-16(12)10-5-3-9(13)4-6-10;1-5-13-7(9(10,11)12)4-14(5)6-2-3-16-8(6)15/h7-10,12-14,19H,5-6,11H2,1-4H3;4-7,10-12,16H,8-9H2,1-3H3;4-7,11-13,18,30H,8-10H2,1-3H3;3-8H,14H2,1-2H3;4,6H,2-3H2,1H3 |
| InChIKey | GVANNYIBPMSWNI-UHFFFAOYSA-N |
| XLogP | 20.12 |
| TPSA | 235.42 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 123 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1735.78 |
| LogP ≤ 5 | 20.12 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 21 |