5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine

C120H152Cl2F27N23O6 — CID 157468737

IUPAC5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
SMILESCC(C)N1C(=O)Cc2cc(Cl)c(Cl)cc21.CC(C)N1C(=O)Cc2ccccc21.CC(C)n1c(C(C)(F)F)nc2ccc(OC(F)(F)F)cc21.CC(C)n1cc(C(N)=O)c(C(F)(F)F)n1.CC(C)n1cc(CN2CCOCC2)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)CCC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2(F)F.CC(C)n1nc(C(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)cc1C1CC1.CCNCc1cn(C(C)C)nc1C(F)(F)F.Cc1nn(C(C)C)c2cc(O)ccc12
InChIInChI=1S/C13H13F5N2O.C12H14F4N2.C12H18F3N3O.C11H11Cl2NO.C11H13F5N2.C11H16F2N2.C11H14N2O.C11H13NO.C10H16F3N3.C10H14F2N2.C8H10F3N3O/c1-7(2)20-10-6-8(21-13(16,17)18)4-5-9(10)19-11(20)12(3,14)15;1-5(2)18-10-7-3-6(7)4-12(15,16)8(10)9(17-18)11(13)14;1-9(2)18-8-10(11(16-18)12(13,14)15)7-17-3-5-19-6-4-17;1-6(2)14-10-5-9(13)8(12)3-7(10)4-11(14)15;1-6(2)18-9-7(4-3-5-10(9,12)13)8(17-18)11(14,15)16;1-7(2)15-9-6-4-3-5-8(9)10(14-15)11(12)13;1-7(2)13-11-6-9(14)4-5-10(11)8(3)12-13;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-4-14-5-8-6-16(7(2)3)15-9(8)10(11,12)13;1-6(2)14-9(7-3-4-7)5-8(13-14)10(11)12;1-4(2)14-3-5(7(12)15)6(13-14)8(9,10)11/h4-7H,1-3H3;5-7,11H,3-4H2,1-2H3;8-9H,3-7H2,1-2H3;3,5-6H,4H2,1-2H3;6H,3-5H2,1-2H3;7,11H,3-6H2,1-2H3;4-7,14H,1-3H3;3-6,8H,7H2,1-2H3;6-7,14H,4-5H2,1-3H3;5-7,10H,3-4H2,1-2H3;3-4H,1-2H3,(H2,12,15)
InChIKeyBUTUZOVVHMCVPE-UHFFFAOYSA-N
MW2596.54 g/mol
LogP33.49
Rot. Bonds23

About 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine

5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine (PubChem CID 157468737) has the molecular formula C120H152Cl2F27N23O6 and a molecular weight of 2596.54 g/mol. Its IUPAC name is 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
PubChem CID157468737
Molecular FormulaC120H152Cl2F27N23O6
Molecular Weight2596.54 g/mol
Exact Mass2594.12
IUPAC Name5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
SMILESCC(C)N1C(=O)Cc2cc(Cl)c(Cl)cc21.CC(C)N1C(=O)Cc2ccccc21.CC(C)n1c(C(C)(F)F)nc2ccc(OC(F)(F)F)cc21.CC(C)n1cc(C(N)=O)c(C(F)(F)F)n1.CC(C)n1cc(CN2CCOCC2)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)CCC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2(F)F.CC(C)n1nc(C(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)cc1C1CC1.CCNCc1cn(C(C)C)nc1C(F)(F)F.Cc1nn(C(C)C)c2cc(O)ccc12
InChIInChI=1S/C13H13F5N2O.C12H14F4N2.C12H18F3N3O.C11H11Cl2NO.C11H13F5N2.C11H16F2N2.C11H14N2O.C11H13NO.C10H16F3N3.C10H14F2N2.C8H10F3N3O/c1-7(2)20-10-6-8(21-13(16,17)18)4-5-9(10)19-11(20)12(3,14)15;1-5(2)18-10-7-3-6(7)4-12(15,16)8(10)9(17-18)11(13)14;1-9(2)18-8-10(11(16-18)12(13,14)15)7-17-3-5-19-6-4-17;1-6(2)14-10-5-9(13)8(12)3-7(10)4-11(14)15;1-6(2)18-9-7(4-3-5-10(9,12)13)8(17-18)11(14,15)16;1-7(2)15-9-6-4-3-5-8(9)10(14-15)11(12)13;1-7(2)13-11-6-9(14)4-5-10(11)8(3)12-13;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-4-14-5-8-6-16(7(2)3)15-9(8)10(11,12)13;1-6(2)14-9(7-3-4-7)5-8(13-14)10(11)12;1-4(2)14-3-5(7(12)15)6(13-14)8(9,10)11/h4-7H,1-3H3;5-7,11H,3-4H2,1-2H3;8-9H,3-7H2,1-2H3;3,5-6H,4H2,1-2H3;6H,3-5H2,1-2H3;7,11H,3-6H2,1-2H3;4-7,14H,1-3H3;3-6,8H,7H2,1-2H3;6-7,14H,4-5H2,1-3H3;5-7,10H,3-4H2,1-2H3;3-4H,1-2H3,(H2,12,15)
InChIKeyBUTUZOVVHMCVPE-UHFFFAOYSA-N
XLogP33.49
TPSA298.05 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002596.54
LogP ≤ 533.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine with MolForge

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Related Compounds

5,6-dichloro-1-propan-2-yl-3H-indol-2-one;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)
CID 157207731
6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-fluoro-4-propan-2-ylbenzene;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindol-6-ol;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
CID 158439513
5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;N,N-dimethyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-7H-pyrrolo[2,3-b]pyridin-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;1-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)
CID 158733893
CID 160812554
CID 160812554
5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;4-(ethoxymethyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;2-methylidene-1-propan-2-yl-3H-indole;4-methyl-2-methylidene-1-propan-2-ylquinoline;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;6-methyl-1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole;7-propan-2-yl-1,7-dihydrocyclopenta[b]pyridin-2-one;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 161133587
5,6-dichloro-2-methylidene-1-propan-2-yl-3H-indole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;N,N-dimethyl-1-[2-propan-2-yl-5-(trifluoromethyl)-2H-imidazol-4-yl]methanamine;4-ethenyl-1-methyl-3-(trifluoromethyl)pyrazole;4-ethenyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;4-ethyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;7-fluoro-7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-5-one;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine;bis(1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole)
CID 161314433
5-chloro-4-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-pyrimidin-2-ylcyclopropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-hydroxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-hydroxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-hydroxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-methoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide
CID 159433372

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
The IUPAC name of 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine (CID 157468737) is 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine.
What is the SMILES notation for 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
The canonical SMILES for 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine is CC(C)N1C(=O)Cc2cc(Cl)c(Cl)cc21.CC(C)N1C(=O)Cc2ccccc21.CC(C)n1c(C(C)(F)F)nc2ccc(OC(F)(F)F)cc21.CC(C)n1cc(C(N)=O)c(C(F)(F)F)n1.CC(C)n1cc(CN2CCOCC2)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)CCC2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2(F)F.CC(C)n1nc(C(F)F)c2c1CCCC2.CC(C)n1nc(C(F)F)cc1C1CC1.CCNCc1cn(C(C)C)nc1C(F)(F)F.Cc1nn(C(C)C)c2cc(O)ccc12.
What is the InChIKey of 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
The InChIKey is BUTUZOVVHMCVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F5N2O.C12H14F4N2.C12H18F3N3O.C11H11Cl2NO.C11H13F5N2.C11H16F2N2.C11H14N2O.C11H13NO.C10H16F3N3.C10H14F2N2.C8H10F3N3O/c1-7(2)20-10-6-8(21-13(16,17)18)4-5-9(10)19-11(20)12(3,14)15;1-5(2)18-10-7-3-6(7)4-12(15,16)8(10)9(17-18)11(13)14;1-9(2)18-8-10(11(16-18)12(13,14)15)7-17-3-5-19-6-4-17;1-6(2)14-10-5-9(13)8(12)3-7(10)4-11(14)15;1-6(2)18-9-7(4-3-5-10(9,12)13)8(17-18)11(14,15)16;1-7(2)15-9-6-4-3-5-8(9)10(14-15)11(12)13;1-7(2)13-11-6-9(14)4-5-10(11)8(3)12-13;1-8(2)12-10-6-4-3-5-9(10)7-11(12)13;1-4-14-5-8-6-16(7(2)3)15-9(8)10(11,12)13;1-6(2)14-9(7-3-4-7)5-8(13-14)10(11)12;1-4(2)14-3-5(7(12)15)6(13-14)8(9,10)11/h4-7H,1-3H3;5-7,11H,3-4H2,1-2H3;8-9H,3-7H2,1-2H3;3,5-6H,4H2,1-2H3;6H,3-5H2,1-2H3;7,11H,3-6H2,1-2H3;4-7,14H,1-3H3;3-6,8H,7H2,1-2H3;6-7,14H,4-5H2,1-3H3;5-7,10H,3-4H2,1-2H3;3-4H,1-2H3,(H2,12,15).
What are the key properties of 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine?
5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine has a molecular weight of 2596.54 g/mol, XLogP of 33.49, 23 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;5,6-dichloro-1-propan-2-yl-3H-indol-2-one;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;3-(difluoromethyl)-4,4-difluoro-1-propan-2-yl-5,5a,6,6a-tetrahydrocyclopropa[g]indazole;3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7,7-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-indazole;3-methyl-1-propan-2-ylindazol-6-ol;1-propan-2-yl-3H-indol-2-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine;4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 157468737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).