Tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;4,6-dichloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5,7-difluoro-1-methyl-3-propan-2-ylindole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole
C189H242Cl2F18N20O4 — CID 158362725
Data last refreshed: (MolForge compound catalog, from PubChem)
About Tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;4,6-dichloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5,7-difluoro-1-methyl-3-propan-2-ylindole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole
Tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;4,6-dichloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5,7-difluoro-1-methyl-3-propan-2-ylindole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole (PubChem CID 158362725) has the molecular formula C189H242Cl2F18N20O4 and a molecular weight of 3271.02 g/mol. Its IUPAC name is tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;4,6-dichloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5,7-difluoro-1-methyl-3-propan-2-ylindole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole.
Molecular Properties
| Compound Name | Tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;4,6-dichloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5,7-difluoro-1-methyl-3-propan-2-ylindole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole |
|---|---|
| PubChem CID | 158362725 |
| Molecular Formula | C189H242Cl2F18N20O4 |
| Molecular Weight | 3271.02 g/mol |
| Exact Mass | 3267.84 |
| IUPAC Name | tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;4,6-dichloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-(1,1-difluoroethyl)-1-propan-2-yl-5-(trifluoromethyl)pyrazole;5,7-difluoro-1-methyl-3-propan-2-ylindole;4,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;5-methyl-1-propan-2-ylindole;6-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole |
| SMILES | C=C(C)c1cn(C(C)C)c2ccccc12.CC(C)c1cc(C(C)C)n(C(C)C)n1.CC(C)c1cn(C)c2c(F)cc(F)cc12.CC(C)c1cn(C)c2cc(C(F)(F)F)ccc12.CC(C)c1cn(C)c2ccc(CCC(=O)OC(C)(C)C)cc12.CC(C)c1nccn1C(C)C.CC(C)n1ccc2c(Cl)cc(Cl)cc21.CC(C)n1ccc2c(F)cc(F)cc21.CC(C)n1nc(C(C)(F)F)c2c1CCC2(F)F.CC(C)n1nc(C(C)(F)F)c2c1CCC2O.CC(C)n1nc(C(C)(F)F)cc1C(F)(F)F.Cc1cc2c(cc1OCc1ccccc1)c(C(C)C)cn2C.Cc1ccc2c(ccn2C(C)C)c1.Cc1ccc2ccn(C(C)C)c2c1.Cc1cccc2c1c(C(C)C)cn2C |
| InChI | InChI=1S/C20H23NO.C19H27NO2.C14H17N.C13H14F3N.C13H17N.C12H13F2N.C12H22N2.2C12H15N.C11H11Cl2N.C11H14F4N2.C11H16F2N2O.C11H11F2N.C9H11F5N2.C9H16N2/c1-14(2)18-12-21(4)19-10-15(3)20(11-17(18)19)22-13-16-8-6-5-7-9-16;1-13(2)16-12-20(6)17-9-7-14(11-15(16)17)8-10-18(21)22-19(3,4)5;1-10(2)13-9-15(11(3)4)14-8-6-5-7-12(13)14;1-8(2)11-7-17(3)12-6-9(13(14,15)16)4-5-10(11)12;1-9(2)11-8-14(4)12-7-5-6-10(3)13(11)12;1-7(2)10-6-15(3)12-9(10)4-8(13)5-11(12)14;1-8(2)11-7-12(9(3)4)14(13-11)10(5)6;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-9(2)13-7-6-11-5-4-10(3)8-12(11)13;1-7(2)14-4-3-9-10(13)5-8(12)6-11(9)14;1-6(2)17-7-4-5-11(14,15)8(7)9(16-17)10(3,12)13;1-6(2)15-7-4-5-8(16)9(7)10(14-15)11(3,12)13;1-7(2)14-4-3-9-10(13)5-8(12)6-11(9)14;1-5(2)16-7(9(12,13)14)4-6(15-16)8(3,10)11;1-7(2)9-10-5-6-11(9)8(3)4/h5-12,14H,13H2,1-4H3;7,9,11-13H,8,10H2,1-6H3;5-9,11H,1H2,2-4H3;4-8H,1-3H3;5-9H,1-4H3;4-7H,1-3H3;7-10H,1-6H3;2*4-9H,1-3H3;3-7H,1-2H3;6H,4-5H2,1-3H3;6,8,16H,4-5H2,1-3H3;3-7H,1-2H3;4-5H,1-3H3;5-8H,1-4H3 |
| InChIKey | GTQVNJHHJLAWMK-UHFFFAOYSA-N |
| XLogP | 56.68 |
| TPSA | 194.16 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 233 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3271.02 |
| LogP ≤ 5 | 56.68 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 24 |
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