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

IUPACtert-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
SMILESC=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
InChIInChI=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
InChIKeyGTQVNJHHJLAWMK-UHFFFAOYSA-N
MW3271.02 g/mol
LogP56.68
Rot. Bonds28

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 Nametert-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 CID158362725
Molecular FormulaC189H242Cl2F18N20O4
Molecular Weight3271.02 g/mol
Exact Mass3267.84
IUPAC Nametert-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
SMILESC=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
InChIInChI=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
InChIKeyGTQVNJHHJLAWMK-UHFFFAOYSA-N
XLogP56.68
TPSA194.16 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003271.02
LogP ≤ 556.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Related Compounds

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-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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is GTQVNJHHJLAWMK-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 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 has a molecular weight of 3271.02 g/mol, XLogP of 56.68, 28 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158362725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).