tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole

C211H277Cl2F14N23O9 — CID 162082559

IUPACtert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
SMILESCC(=O)c1cn(C(C)C)c2ccccc12.CC(C)c1ccc(F)cc1.CC(C)c1cccc(Cl)c1.CC(C)c1cn(C)c2cc(CNC(=O)OC(C)(C)C)ccc12.CC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)c1cn(C)c2ccc(CN)cc12.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc2ccc(Cl)cc21.CC(C)n1ccc2cnccc21.CC(C)n1nc(C(C)(F)F)c2c1CCC2=O.CC(C)n1nc(C(C)(F)F)cc1C1CC1.CC1=C(C(C)C)c2ccccc2C1.CCc1cccc2c(C(C)=O)cn(C(C)C)c12.COc1ccc(C(C)C)c(OC)c1.Cc1c(C(C)F)nn(C(C)C)c1C(F)F.Cc1cc2ccn(C(C)C)c2cc1C.Cc1cn(C)c2ccc(NC(=O)OC(C)(C)C)cc12.Cc1nn(C(C)C)c(C)c1C
InChIInChI=1S/C18H26N2O2.C15H20N2O2.C15H19NO.C13H14F3N.C13H18N2.C13H15NO.C13H17N.C13H16.C11H12ClN.C11H14F2N2O.C11H16F2N2.C11H16O2.C10H15F3N2.C10H12N2.C9H11Cl.C9H11F.C9H16N2.C7H9F3N2/c1-12(2)15-11-20(6)16-9-13(7-8-14(15)16)10-19-17(21)22-18(3,4)5;1-10-9-17(5)13-7-6-11(8-12(10)13)16-14(18)19-15(2,3)4;1-5-12-7-6-8-13-14(11(4)17)9-16(10(2)3)15(12)13;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-9(2)12-8-15(3)13-5-4-10(7-14)6-11(12)13;1-9(2)14-8-12(10(3)15)11-6-4-5-7-13(11)14;1-9(2)14-6-5-12-7-10(3)11(4)8-13(12)14;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)13-6-5-9-3-4-10(12)7-11(9)13;1-6(2)15-7-4-5-8(16)9(7)10(14-15)11(3,12)13;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;1-8(2)10-6-5-9(12-3)7-11(10)13-4;1-5(2)15-9(10(12)13)6(3)8(14-15)7(4)11;1-8(2)12-6-4-9-7-11-5-3-10(9)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9(10)6-4-8;1-6(2)11-9(5)7(3)8(4)10-11;1-5(2)12-4-3-6(11-12)7(8,9)10/h7-9,11-12H,10H2,1-6H3,(H,19,21);6-9H,1-5H3,(H,16,18);6-10H,5H2,1-4H3;4-8H,1-3H3;4-6,8-9H,7,14H2,1-3H3;4-9H,1-3H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;3-8H,1-2H3;6H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3;5-8H,1-4H3;5,7,10H,1-4H3;3-8H,1-2H3;2*3-7H,1-2H3;6H,1-5H3;3-5H,1-2H3
InChIKeyZCNKTBOHMCBOON-UHFFFAOYSA-N
MW3616.57 g/mol
LogP60.67
Rot. Bonds31

About tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole

tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole (PubChem CID 162082559) has the molecular formula C211H277Cl2F14N23O9 and a molecular weight of 3616.57 g/mol. Its IUPAC name is tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Nametert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
PubChem CID162082559
Molecular FormulaC211H277Cl2F14N23O9
Molecular Weight3616.57 g/mol
Exact Mass3613.11
IUPAC Nametert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
SMILESCC(=O)c1cn(C(C)C)c2ccccc12.CC(C)c1ccc(F)cc1.CC(C)c1cccc(Cl)c1.CC(C)c1cn(C)c2cc(CNC(=O)OC(C)(C)C)ccc12.CC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)c1cn(C)c2ccc(CN)cc12.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc2ccc(Cl)cc21.CC(C)n1ccc2cnccc21.CC(C)n1nc(C(C)(F)F)c2c1CCC2=O.CC(C)n1nc(C(C)(F)F)cc1C1CC1.CC1=C(C(C)C)c2ccccc2C1.CCc1cccc2c(C(C)=O)cn(C(C)C)c12.COc1ccc(C(C)C)c(OC)c1.Cc1c(C(C)F)nn(C(C)C)c1C(F)F.Cc1cc2ccn(C(C)C)c2cc1C.Cc1cn(C)c2ccc(NC(=O)OC(C)(C)C)cc12.Cc1nn(C(C)C)c(C)c1C
InChIInChI=1S/C18H26N2O2.C15H20N2O2.C15H19NO.C13H14F3N.C13H18N2.C13H15NO.C13H17N.C13H16.C11H12ClN.C11H14F2N2O.C11H16F2N2.C11H16O2.C10H15F3N2.C10H12N2.C9H11Cl.C9H11F.C9H16N2.C7H9F3N2/c1-12(2)15-11-20(6)16-9-13(7-8-14(15)16)10-19-17(21)22-18(3,4)5;1-10-9-17(5)13-7-6-11(8-12(10)13)16-14(18)19-15(2,3)4;1-5-12-7-6-8-13-14(11(4)17)9-16(10(2)3)15(12)13;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-9(2)12-8-15(3)13-5-4-10(7-14)6-11(12)13;1-9(2)14-8-12(10(3)15)11-6-4-5-7-13(11)14;1-9(2)14-6-5-12-7-10(3)11(4)8-13(12)14;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)13-6-5-9-3-4-10(12)7-11(9)13;1-6(2)15-7-4-5-8(16)9(7)10(14-15)11(3,12)13;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;1-8(2)10-6-5-9(12-3)7-11(10)13-4;1-5(2)15-9(10(12)13)6(3)8(14-15)7(4)11;1-8(2)12-6-4-9-7-11-5-3-10(9)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9(10)6-4-8;1-6(2)11-9(5)7(3)8(4)10-11;1-5(2)12-4-3-6(11-12)7(8,9)10/h7-9,11-12H,10H2,1-6H3,(H,19,21);6-9H,1-5H3,(H,16,18);6-10H,5H2,1-4H3;4-8H,1-3H3;4-6,8-9H,7,14H2,1-3H3;4-9H,1-3H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;3-8H,1-2H3;6H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3;5-8H,1-4H3;5,7,10H,1-4H3;3-8H,1-2H3;2*3-7H,1-2H3;6H,1-5H3;3-5H,1-2H3
InChIKeyZCNKTBOHMCBOON-UHFFFAOYSA-N
XLogP60.67
TPSA318.71 Ų
H-Bond Donors3
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003616.57
LogP ≤ 560.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1030

Analyze tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The IUPAC name of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole (CID 162082559) is tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole.
What is the SMILES notation for tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The canonical SMILES for tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole is CC(=O)c1cn(C(C)C)c2ccccc12.CC(C)c1ccc(F)cc1.CC(C)c1cccc(Cl)c1.CC(C)c1cn(C)c2cc(CNC(=O)OC(C)(C)C)ccc12.CC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)c1cn(C)c2ccc(CN)cc12.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc2ccc(Cl)cc21.CC(C)n1ccc2cnccc21.CC(C)n1nc(C(C)(F)F)c2c1CCC2=O.CC(C)n1nc(C(C)(F)F)cc1C1CC1.CC1=C(C(C)C)c2ccccc2C1.CCc1cccc2c(C(C)=O)cn(C(C)C)c12.COc1ccc(C(C)C)c(OC)c1.Cc1c(C(C)F)nn(C(C)C)c1C(F)F.Cc1cc2ccn(C(C)C)c2cc1C.Cc1cn(C)c2ccc(NC(=O)OC(C)(C)C)cc12.Cc1nn(C(C)C)c(C)c1C.
What is the InChIKey of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The InChIKey is ZCNKTBOHMCBOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.C15H20N2O2.C15H19NO.C13H14F3N.C13H18N2.C13H15NO.C13H17N.C13H16.C11H12ClN.C11H14F2N2O.C11H16F2N2.C11H16O2.C10H15F3N2.C10H12N2.C9H11Cl.C9H11F.C9H16N2.C7H9F3N2/c1-12(2)15-11-20(6)16-9-13(7-8-14(15)16)10-19-17(21)22-18(3,4)5;1-10-9-17(5)13-7-6-11(8-12(10)13)16-14(18)19-15(2,3)4;1-5-12-7-6-8-13-14(11(4)17)9-16(10(2)3)15(12)13;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-9(2)12-8-15(3)13-5-4-10(7-14)6-11(12)13;1-9(2)14-8-12(10(3)15)11-6-4-5-7-13(11)14;1-9(2)14-6-5-12-7-10(3)11(4)8-13(12)14;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)13-6-5-9-3-4-10(12)7-11(9)13;1-6(2)15-7-4-5-8(16)9(7)10(14-15)11(3,12)13;1-7(2)15-9(8-4-5-8)6-10(14-15)11(3,12)13;1-8(2)10-6-5-9(12-3)7-11(10)13-4;1-5(2)15-9(10(12)13)6(3)8(14-15)7(4)11;1-8(2)12-6-4-9-7-11-5-3-10(9)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9(10)6-4-8;1-6(2)11-9(5)7(3)8(4)10-11;1-5(2)12-4-3-6(11-12)7(8,9)10/h7-9,11-12H,10H2,1-6H3,(H,19,21);6-9H,1-5H3,(H,16,18);6-10H,5H2,1-4H3;4-8H,1-3H3;4-6,8-9H,7,14H2,1-3H3;4-9H,1-3H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;3-8H,1-2H3;6H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3;5-8H,1-4H3;5,7,10H,1-4H3;3-8H,1-2H3;2*3-7H,1-2H3;6H,1-5H3;3-5H,1-2H3.
What are the key properties of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?
tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole has a molecular weight of 3616.57 g/mol, XLogP of 60.67, 31 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 162082559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).