5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
C120H152Cl2F27N23O6 — CID 157468737
Data last refreshed: (MolForge compound catalog, from PubChem)
About 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine (PubChem CID 157468737) has the molecular formula C120H152Cl2F27N23O6 and a molecular weight of 2596.54 g/mol. Its IUPAC name is 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine.
Molecular Properties
| Compound Name | 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine |
|---|---|
| PubChem CID | 157468737 |
| Molecular Formula | C120H152Cl2F27N23O6 |
| Molecular Weight | 2596.54 g/mol |
| Exact Mass | 2594.12 |
| IUPAC Name | 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine |
| SMILES | CC(C)N1C(=O)Cc2cc(Cl)c(Cl)cc21.CC(C)N1C(=O)Cc2ccccc21.CC(C)n1c(C(C)(F)F)nc2ccc(OC(F)(F)F)cc21.CC(C)n1cc(C(N)=O)c(C(F)(F)F)n1.CC(C)n1cc(CN2CCOCC2)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)CCC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2(F)F.CC(C)n1nc(C(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)cc1C1CC1.CCNCc1cn(C(C)C)nc1C(F)(F)F.Cc1nn(C(C)C)c2cc(O)ccc12 |
| InChI | InChI=1S/C13H13F5N2O.C12H14F4N2.C12H18F3N3O.C11H11Cl2NO.C11H13F5N2.C11H16F2N2.C11H14N2O.C11H13NO.C10H16F3N3.C10H14F2N2.C8H10F3N3O/c1-7(2)20-10-6-8(21-13(16,17)18)4-5-9(10)19-11(20)12(3,14)15;1-5(2)18-10-7-3-6(7)4-12(15,16)8(10)9(17-18)11(13)14;1-9(2)18-8-10(11(16-18)12(13,14)15)7-17-3-5-19-6-4-17;1-6(2)14-10-5-9(13)8(12)3-7(10)4-11(14)15;1-6(2)18-9-7(4-3-5-10(9,12)13)8(17-18)11(14,15)16;1-7(2)15-9-6-4-3-5-8(9)10(14-15)11(12)13;1-7(2)13-11-6-9(14)4-5-10(11)8(3)12-13;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-4-14-5-8-6-16(7(2)3)15-9(8)10(11,12)13;1-6(2)14-9(7-3-4-7)5-8(13-14)10(11)12;1-4(2)14-3-5(7(12)15)6(13-14)8(9,10)11/h4-7H,1-3H3;5-7,11H,3-4H2,1-2H3;8-9H,3-7H2,1-2H3;3,5-6H,4H2,1-2H3;6H,3-5H2,1-2H3;7,11H,3-6H2,1-2H3;4-7,14H,1-3H3;3-6,8H,7H2,1-2H3;6-7,14H,4-5H2,1-3H3;5-7,10H,3-4H2,1-2H3;3-4H,1-2H3,(H2,12,15) |
| InChIKey | BUTUZOVVHMCVPE-UHFFFAOYSA-N |
| XLogP | 33.49 |
| TPSA | 298.05 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 178 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2596.54 |
| LogP ≤ 5 | 33.49 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 26 |
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Sources
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