About tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 160587021) has the molecular formula C176H224Cl2F16N24O7
and a molecular weight of 3162.76 g/mol. Its IUPAC name is tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 160587021) is tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is C=C(NC)c1nc2c(C)cccc2n1C(C)C.CC(C)N1CCc2[nH]nc(C(F)(F)F)c2C1.CC(C)c1c[nH]c2c(F)cc(F)cc12.CC(C)c1cc(C(=O)NC2CC2)n(C(C)C)n1.CC(C)c1cn(C)c2cc(C(F)(F)F)ccc12.CC(C)c1cn(C)c2ccc(CCC(=O)OC(C)(C)C)cc12.CC(C)n1cnc2cc(Cl)c(Cl)cc21.CC(C)n1nc(C(C)(F)F)c2c1CCC2(F)F.CC(C)n1nc(C(F)(F)F)c2c1CCC2O.CC1=C(C(C)C)c2cc(F)ccc2C1.COC(=O)c1cc(C(C)C)n(C(C)C)n1.Cc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1.Cc1cc2c(ccn2C)cn1.Cc1cccc2c1c(C(C)C)cn2C.
What is the InChIKey of tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is RCNFXCHURVQDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2.C19H21NO.C14H19N3.C13H14F3N.C13H15F.C13H21N3O.C13H17N.C11H14F4N2.C11H11F2N.C11H18N2O2.C10H10Cl2N2.C10H14F3N3.C10H13F3N2O.C9H10N2/c1-13(2)16-12-20(6)17-9-7-14(11-15(16)17)8-10-18(21)22-19(3,4)5;1-13(2)17-11-20-18-9-14(3)19(10-16(17)18)21-12-15-7-5-4-6-8-15;1-9(2)17-12-8-6-7-10(3)13(12)16-14(17)11(4)15-5;1-8(2)11-7-17(3)12-6-9(13(14,15)16)4-5-10(11)12;1-8(2)13-9(3)6-10-4-5-11(14)7-12(10)13;1-8(2)11-7-12(16(15-11)9(3)4)13(17)14-10-5-6-10;1-9(2)11-8-14(4)12-7-5-6-10(3)13(11)12;1-6(2)17-7-4-5-11(14,15)8(7)9(16-17)10(3,12)13;1-6(2)9-5-14-11-8(9)3-7(12)4-10(11)13;1-7(2)10-6-9(11(14)15-5)12-13(10)8(3)4;1-6(2)14-5-13-9-3-7(11)8(12)4-10(9)14;1-6(2)16-4-3-8-7(5-16)9(15-14-8)10(11,12)13;1-5(2)15-6-3-4-7(16)8(6)9(14-15)10(11,12)13;1-7-5-9-8(6-10-7)3-4-11(9)2/h7,9,11-13H,8,10H2,1-6H3;4-11,13,20H,12H2,1-3H3;6-9,15H,4H2,1-3,5H3;4-8H,1-3H3;4-5,7-8H,6H2,1-3H3;7-10H,5-6H2,1-4H3,(H,14,17);5-9H,1-4H3;6H,4-5H2,1-3H3;3-6,14H,1-2H3;6-8H,1-5H3;3-6H,1-2H3;6H,3-5H2,1-2H3,(H,14,15);5,7,16H,3-4H2,1-2H3;3-6H,1-2H3.
What are the key properties of tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 3162.76 g/mol, XLogP of 47.11, 27 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,6-dimethylpyrrolo[3,2-c]pyridine;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;methyl 1,5-di(propan-2-yl)pyrazole-3-carboxylate;N-methyl-1-(4-methyl-1-propan-2-ylbenzimidazol-2-yl)ethenamine;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 160587021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).