tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole

C137H176F18N16O5 — CID 160638966

IUPACtert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole
SMILESCC(=O)c1cn(C(C)C)c2ccccc12.CC(C)c1c[nH]c2c(F)cc(F)cc12.CC(C)c1c[nH]c2cc(C(F)(F)F)ccc12.CC(C)c1cc(C(C)C)n(C(C)C)n1.CC(C)c1cn(C)c2ccc(CCC(=O)OC(C)(C)C)cc12.CC(C)c1nccn1C(C)C.CC(C)n1nc(C(C)(F)F)c2c1CCC2(F)F.CC(C)n1nc(C(F)(F)F)c2c1CCC2O.CC(C)n1nc(C(F)(F)F)cc1C(F)(F)F.Cc1cc2c(cc1OCc1ccccc1)c(C(C)C)cn2C.Cc1cccc2[nH]cc(C(C)C)c12
InChIInChI=1S/C20H23NO.C19H27NO2.C13H15NO.C12H12F3N.C12H22N2.C12H15N.C11H14F4N2.C11H11F2N.C10H13F3N2O.C9H16N2.C8H8F6N2/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;1-9(2)14-8-12(10(3)15)11-6-4-5-7-13(11)14;1-7(2)10-6-16-11-5-8(12(13,14)15)3-4-9(10)11;1-8(2)11-7-12(9(3)4)14(13-11)10(5)6;1-8(2)10-7-13-11-6-4-5-9(3)12(10)11;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;1-5(2)15-6-3-4-7(16)8(6)9(14-15)10(11,12)13;1-7(2)9-10-5-6-11(9)8(3)4;1-4(2)16-6(8(12,13)14)3-5(15-16)7(9,10)11/h5-12,14H,13H2,1-4H3;7,9,11-13H,8,10H2,1-6H3;4-9H,1-3H3;3-7,16H,1-2H3;7-10H,1-6H3;4-8,13H,1-3H3;6H,4-5H2,1-3H3;3-6,14H,1-2H3;5,7,16H,3-4H2,1-2H3;5-8H,1-4H3;3-4H,1-2H3
InChIKeyRIXKOYJUMKHIQW-UHFFFAOYSA-N
MW2468.99 g/mol
LogP40.55
Rot. Bonds22

About tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole

tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole (PubChem CID 160638966) has the molecular formula C137H176F18N16O5 and a molecular weight of 2468.99 g/mol. Its IUPAC name is tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole.

Molecular Properties

Compound Nametert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole
PubChem CID160638966
Molecular FormulaC137H176F18N16O5
Molecular Weight2468.99 g/mol
Exact Mass2467.37
IUPAC Nametert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole
SMILESCC(=O)c1cn(C(C)C)c2ccccc12.CC(C)c1c[nH]c2c(F)cc(F)cc12.CC(C)c1c[nH]c2cc(C(F)(F)F)ccc12.CC(C)c1cc(C(C)C)n(C(C)C)n1.CC(C)c1cn(C)c2ccc(CCC(=O)OC(C)(C)C)cc12.CC(C)c1nccn1C(C)C.CC(C)n1nc(C(C)(F)F)c2c1CCC2(F)F.CC(C)n1nc(C(F)(F)F)c2c1CCC2O.CC(C)n1nc(C(F)(F)F)cc1C(F)(F)F.Cc1cc2c(cc1OCc1ccccc1)c(C(C)C)cn2C.Cc1cccc2[nH]cc(C(C)C)c12
InChIInChI=1S/C20H23NO.C19H27NO2.C13H15NO.C12H12F3N.C12H22N2.C12H15N.C11H14F4N2.C11H11F2N.C10H13F3N2O.C9H16N2.C8H8F6N2/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;1-9(2)14-8-12(10(3)15)11-6-4-5-7-13(11)14;1-7(2)10-6-16-11-5-8(12(13,14)15)3-4-9(10)11;1-8(2)11-7-12(9(3)4)14(13-11)10(5)6;1-8(2)10-7-13-11-6-4-5-9(3)12(10)11;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;1-5(2)15-6-3-4-7(16)8(6)9(14-15)10(11,12)13;1-7(2)9-10-5-6-11(9)8(3)4;1-4(2)16-6(8(12,13)14)3-5(15-16)7(9,10)11/h5-12,14H,13H2,1-4H3;7,9,11-13H,8,10H2,1-6H3;4-9H,1-3H3;3-7,16H,1-2H3;7-10H,1-6H3;4-8,13H,1-3H3;6H,4-5H2,1-3H3;3-6,14H,1-2H3;5,7,16H,3-4H2,1-2H3;5-8H,1-4H3;3-4H,1-2H3
InChIKeyRIXKOYJUMKHIQW-UHFFFAOYSA-N
XLogP40.55
TPSA224.09 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002468.99
LogP ≤ 540.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole with MolForge

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Related Compounds

2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole
CID 157448832
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
CID 158362725
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[2-(5,6-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(4-methyl-1H-indol-3-yl)acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158559356
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[2-(5,6-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5,7-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(4-methyl-1H-indol-3-yl)acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160065070
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;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;5,7-difluoro-1-methyl-3-propan-2-ylindole;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;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;1-methyl-3-propan-2-yl-6-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 160191319
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
tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethylpyrrolo[3,2-c]pyridine;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;4-methyl-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
CID 160714457
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-methyl-2-propan-2-ylimidazole;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
CID 161259251
4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;tert-butyl 3-(3-methyl-1-propan-2-ylindazol-6-yl)propanoate;4,6-dichloro-1-propan-2-ylindazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazole;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4,6-difluoro-1-propan-2-ylindole;5,7-difluoro-3-propan-2-yl-1H-indole;1,4-dimethyl-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;6-methyl-5-phenylmethoxy-3-propan-2-yl-1H-indole;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-3,5-bis(trifluoromethyl)pyrazole;1-propan-2-yl-3-prop-1-en-2-ylindole;1,3,5-tri(propan-2-yl)pyrazole
CID 161388931
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 157079679
2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-dimethylphenyl)imidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-methylphenyl)imidazole;3-[4-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-4H-1,2-oxazol-4-ide;pentakis(iridium);4-[1-(4-methoxy-2,6-dimethylphenyl)imidazol-2-yl]-3H-pyridin-3-ide;1-methyl-2-phenylimidazole;2-(3H-naphthalen-3-id-2-yl)-1-phenylimidazole;1-phenylpyrazole;pyridine-2-carboxylic acid
CID 157139035
6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-3-methyl-2H-indazole;4-tert-butyl-1-methyl-2-phenoxybenzene;1-[2-(2-hydroxyethyl)-3H-benzimidazol-5-yl]-2-[3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-5-(5-methyl-1H-imidazol-3-ium-3-yl)phenyl]ethanone
CID 157428022

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole?
The IUPAC name of tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole (CID 160638966) is tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole.
What is the SMILES notation for tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole?
The canonical SMILES for tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole is CC(=O)c1cn(C(C)C)c2ccccc12.CC(C)c1c[nH]c2c(F)cc(F)cc12.CC(C)c1c[nH]c2cc(C(F)(F)F)ccc12.CC(C)c1cc(C(C)C)n(C(C)C)n1.CC(C)c1cn(C)c2ccc(CCC(=O)OC(C)(C)C)cc12.CC(C)c1nccn1C(C)C.CC(C)n1nc(C(C)(F)F)c2c1CCC2(F)F.CC(C)n1nc(C(F)(F)F)c2c1CCC2O.CC(C)n1nc(C(F)(F)F)cc1C(F)(F)F.Cc1cc2c(cc1OCc1ccccc1)c(C(C)C)cn2C.Cc1cccc2[nH]cc(C(C)C)c12.
What is the InChIKey of tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole?
The InChIKey is RIXKOYJUMKHIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO.C19H27NO2.C13H15NO.C12H12F3N.C12H22N2.C12H15N.C11H14F4N2.C11H11F2N.C10H13F3N2O.C9H16N2.C8H8F6N2/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;1-9(2)14-8-12(10(3)15)11-6-4-5-7-13(11)14;1-7(2)10-6-16-11-5-8(12(13,14)15)3-4-9(10)11;1-8(2)11-7-12(9(3)4)14(13-11)10(5)6;1-8(2)10-7-13-11-6-4-5-9(3)12(10)11;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;1-5(2)15-6-3-4-7(16)8(6)9(14-15)10(11,12)13;1-7(2)9-10-5-6-11(9)8(3)4;1-4(2)16-6(8(12,13)14)3-5(15-16)7(9,10)11/h5-12,14H,13H2,1-4H3;7,9,11-13H,8,10H2,1-6H3;4-9H,1-3H3;3-7,16H,1-2H3;7-10H,1-6H3;4-8,13H,1-3H3;6H,4-5H2,1-3H3;3-6,14H,1-2H3;5,7,16H,3-4H2,1-2H3;5-8H,1-4H3;3-4H,1-2H3.
What are the key properties of tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole?
tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole has a molecular weight of 2468.99 g/mol, XLogP of 40.55, 22 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-methyl-3-propan-2-ylindol-5-yl)propanoate;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;1,6-dimethyl-5-phenylmethoxy-3-propan-2-ylindole;1,2-di(propan-2-yl)imidazole;4-methyl-3-propan-2-yl-1H-indole;1-propan-2-yl-3,5-bis(trifluoromethyl)pyrazole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol;3-propan-2-yl-6-(trifluoromethyl)-1H-indole;1,3,5-tri(propan-2-yl)pyrazole is sourced from PubChem (CID 160638966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).