tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole

C170H222Cl3F14N21O7 — CID 161138220

IUPACtert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole
SMILESCC(=O)c1cn(C(C)C)c2ccccc12.CC(C)N1CCc2[nH]nc(C(F)(F)F)c2C1.CC(C)c1cc(C(=O)NC2CC2)n(C(C)C)n1.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)n1ccc(C(F)(F)F)n1.CC(C)n1ccc2cnccc21.CC(C)n1cnc2cc(Cl)c(Cl)cc21.CC(C)n1nc(C(F)(F)F)cc1C1CC1.CC1=C(C(C)C)c2cc(F)ccc2C1.CCc1cccc2c(C(C)=O)cn(C(C)C)c12.COc1ccc(C(C)C)c(OC)c1.Cc1nn(C(C)C)c(C)c1C
InChIInChI=1S/C18H26N2O2.C15H19NO.C13H14F3N.C13H15F.C13H21N3O.C13H15NO.C11H16O2.C10H10Cl2N2.C10H14F3N3.C10H13F3N2.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;1-5-12-7-6-8-13-14(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;1-8(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)14-8-12(10(3)15)11-6-4-5-7-13(11)14;1-8(2)10-6-5-9(12-3)7-11(10)13-4;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;1-6(2)15-8(7-3-4-7)5-9(14-15)10(11,12)13;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);6-10H,5H2,1-4H3;4-8H,1-3H3;4-5,7-8H,6H2,1-3H3;7-10H,5-6H2,1-4H3,(H,14,17);4-9H,1-3H3;5-8H,1-4H3;3-6H,1-2H3;6H,3-5H2,1-2H3,(H,14,15);5-7H,3-4H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;6H,1-5H3;3-5H,1-2H3
InChIKeyUNBSQDCUGRWTCK-UHFFFAOYSA-N
MW3044.12 g/mol
LogP48.56
Rot. Bonds26

About tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole

tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole (PubChem CID 161138220) has the molecular formula C170H222Cl3F14N21O7 and a molecular weight of 3044.12 g/mol. Its IUPAC name is tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Nametert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole
PubChem CID161138220
Molecular FormulaC170H222Cl3F14N21O7
Molecular Weight3044.12 g/mol
Exact Mass3040.65
IUPAC Nametert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole
SMILESCC(=O)c1cn(C(C)C)c2ccccc12.CC(C)N1CCc2[nH]nc(C(F)(F)F)c2C1.CC(C)c1cc(C(=O)NC2CC2)n(C(C)C)n1.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)n1ccc(C(F)(F)F)n1.CC(C)n1ccc2cnccc21.CC(C)n1cnc2cc(Cl)c(Cl)cc21.CC(C)n1nc(C(F)(F)F)cc1C1CC1.CC1=C(C(C)C)c2cc(F)ccc2C1.CCc1cccc2c(C(C)=O)cn(C(C)C)c12.COc1ccc(C(C)C)c(OC)c1.Cc1nn(C(C)C)c(C)c1C
InChIInChI=1S/C18H26N2O2.C15H19NO.C13H14F3N.C13H15F.C13H21N3O.C13H15NO.C11H16O2.C10H10Cl2N2.C10H14F3N3.C10H13F3N2.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;1-5-12-7-6-8-13-14(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;1-8(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)14-8-12(10(3)15)11-6-4-5-7-13(11)14;1-8(2)10-6-5-9(12-3)7-11(10)13-4;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;1-6(2)15-8(7-3-4-7)5-9(14-15)10(11,12)13;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);6-10H,5H2,1-4H3;4-8H,1-3H3;4-5,7-8H,6H2,1-3H3;7-10H,5-6H2,1-4H3,(H,14,17);4-9H,1-3H3;5-8H,1-4H3;3-6H,1-2H3;6H,3-5H2,1-2H3,(H,14,15);5-7H,3-4H2,1-2H3;3-8H,1-2H3;2*3-7H,1-2H3;6H,1-5H3;3-5H,1-2H3
InChIKeyUNBSQDCUGRWTCK-UHFFFAOYSA-N
XLogP48.56
TPSA278.59 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003044.12
LogP ≤ 548.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole with MolForge

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Related Compounds

1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 157536981
1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;N,4-dimethyl-1-propan-2-ylbenzimidazole-2-carboxamide;1,6-dimethylpyrrolo[3,2-c]pyridine;1,5-di(propan-2-yl)pyrazole-3-carboxylic acid;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-propan-2-ylpyrrolo[3,2-c]pyridine;3-propan-2-yl-5-(trifluoromethyl)-1H-indole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 159253748
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-ylpyrazole;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;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 159487881
1-chloro-3-propan-2-ylbenzene;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5,6-dichloro-1-propan-2-ylbenzimidazole;1,6-dimethylpyrrolo[3,2-c]pyridine;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;methane;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-5-(trifluoromethyl)indole;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,3,4-trimethyl-1-propan-2-ylpyrrole
CID 160822284
4,6-dichloro-3-fluoro-2-methylaniline;4,5-dimethyl-1H-benzimidazole;4,5-dimethyl-1H-indazole;6,7-dimethyl-1H-isoindole;1,8-dimethylnaphthalene;7,8-dimethyl-2H-naphthalen-1-one;tris(1-fluoro-2,3-dimethylbenzene);4-fluoro-2,3-dimethylpyridine;1-fluoro-3-methoxy-2-methylbenzene;1-fluoro-2-methylbenzene;7-fluoro-8-methyl-2H-naphthalen-1-one;2-methylbenzene-1,3-diol;4-methyl-2H-benzotriazole;bis(4-methyl-1,3-dihydroindol-2-one);1-methylnaphthalene;4-methylnaphthalen-2-ol;2-methylphenol;4-methyl-1H-pyrazolo[3,4-b]pyridine;1,4,5-trimethyl-3H-indol-2-one
CID 167644428

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The IUPAC name of tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole (CID 161138220) is tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole.
What is the SMILES notation for tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The canonical SMILES for tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole is CC(=O)c1cn(C(C)C)c2ccccc12.CC(C)N1CCc2[nH]nc(C(F)(F)F)c2C1.CC(C)c1cc(C(=O)NC2CC2)n(C(C)C)n1.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)n1ccc(C(F)(F)F)n1.CC(C)n1ccc2cnccc21.CC(C)n1cnc2cc(Cl)c(Cl)cc21.CC(C)n1nc(C(F)(F)F)cc1C1CC1.CC1=C(C(C)C)c2cc(F)ccc2C1.CCc1cccc2c(C(C)=O)cn(C(C)C)c12.COc1ccc(C(C)C)c(OC)c1.Cc1nn(C(C)C)c(C)c1C.
What is the InChIKey of tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The InChIKey is UNBSQDCUGRWTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.C15H19NO.C13H14F3N.C13H15F.C13H21N3O.C13H15NO.C11H16O2.C10H10Cl2N2.C10H14F3N3.C10H13F3N2.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;1-5-12-7-6-8-13-14(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;1-8(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)14-8-12(10(3)15)11-6-4-5-7-13(11)14;1-8(2)10-6-5-9(12-3)7-11(10)13-4;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;1-6(2)15-8(7-3-4-7)5-9(14-15)10(11,12)13;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);6-10H,5H2,1-4H3;4-8H,1-3H3;4-5,7-8H,6H2,1-3H3;7-10H,5-6H2,1-4H3,(H,14,17);4-9H,1-3H3;5-8H,1-4H3;3-6H,1-2H3;6H,3-5H2,1-2H3,(H,14,15);5-7H,3-4H2,1-2H3;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-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole?
tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole has a molecular weight of 3044.12 g/mol, XLogP of 48.56, 26 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;N-cyclopropyl-1,3-di(propan-2-yl)pyrazole-5-carboxamide;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5,6-dichloro-1-propan-2-ylbenzimidazole;2,4-dimethoxy-1-propan-2-ylbenzene;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;5-fluoro-2-methyl-3-propan-2-yl-1H-indene;1-fluoro-4-propan-2-ylbenzene;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;5-propan-2-yl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;3,4,5-trimethyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 161138220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).