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

C159H205F30N27O6 — CID 161133587

IUPAC5-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
SMILESC=C1C=C(C)c2ccccc2N1C(C)C.C=C1Cc2ccccc2N1C(C)C.CC(C)C1C=Cc2ccc(=O)[nH]c21.CC(C)n1c(C(C)(F)F)nc2ccc(OC(F)(F)F)cc21.CC(C)n1cc(C(=O)O)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1CC(=O)CC2.CC(C)n1nc(C(F)(F)F)c2c1CCN(C)C2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)F)cc1C1CC1.CC1CCc2c(C(F)(F)F)nn(C(C)C)c2C1.CCNCc1cn(C(C)C)nc1C(F)(F)F.CCOCc1cn(C(C)C)nc1C(F)(F)F.Cc1cc2nc(C(F)(F)F)n(C(C)C)c2cc1C.Cc1cc2ncn(C(C)C)c2cc1C
InChIInChI=1S/C14H17N.C13H13F5N2O.C13H15F3N2.C12H17F3N2.C12H16F2N2.C12H16N2.C12H15N.C11H16F3N3.C11H13F3N2O.C11H13NO.C10H16F3N3.C10H15F3N2O.C10H14F2N2.C8H9F3N2O2/c1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-7(2)20-10-6-8(21-13(16,17)18)4-5-9(10)19-11(20)12(3,14)15;1-7(2)18-11-6-9(4)8(3)5-10(11)17-12(18)13(14,15)16;1-7(2)17-10-6-8(3)4-5-9(10)11(16-17)12(13,14)15;1-6(2)16-11-8(10(15-16)12(13)14)4-3-7-5-9(7)11;1-8(2)14-7-13-11-5-9(3)10(4)6-12(11)14;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-7(2)17-9-4-5-16(3)6-8(9)10(15-17)11(12,13)14;1-6(2)16-9-5-7(17)3-4-8(9)10(15-16)11(12,13)14;1-7(2)9-5-3-8-4-6-10(13)12-11(8)9;1-4-14-5-8-6-16(7(2)3)15-9(8)10(11,12)13;1-4-16-6-8-5-15(7(2)3)14-9(8)10(11,12)13;1-6(2)14-9(7-3-4-7)5-8(13-14)10(11)12;1-4(2)13-3-5(7(14)15)6(12-13)8(9,10)11/h5-10H,4H2,1-3H3;4-7H,1-3H3;5-7H,1-4H3;7-8H,4-6H2,1-3H3;6-7,9,12H,3-5H2,1-2H3;5-8H,1-4H3;4-7,9H,3,8H2,1-2H3;7H,4-6H2,1-3H3;6H,3-5H2,1-2H3;3-7,9H,1-2H3,(H,12,13);6-7,14H,4-5H2,1-3H3;5,7H,4,6H2,1-3H3;5-7,10H,3-4H2,1-2H3;3-4H,1-2H3,(H,14,15)
InChIKeyUMMXGTDNPWBKFB-UHFFFAOYSA-N
MW3160.51 g/mol
LogP44.20
Rot. Bonds26

About 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

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 (PubChem CID 161133587) has the molecular formula C159H205F30N27O6 and a molecular weight of 3160.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID161133587
Molecular FormulaC159H205F30N27O6
Molecular Weight3160.51 g/mol
Exact Mass3158.61
IUPAC Name5-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
SMILESC=C1C=C(C)c2ccccc2N1C(C)C.C=C1Cc2ccccc2N1C(C)C.CC(C)C1C=Cc2ccc(=O)[nH]c21.CC(C)n1c(C(C)(F)F)nc2ccc(OC(F)(F)F)cc21.CC(C)n1cc(C(=O)O)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1CC(=O)CC2.CC(C)n1nc(C(F)(F)F)c2c1CCN(C)C2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)F)cc1C1CC1.CC1CCc2c(C(F)(F)F)nn(C(C)C)c2C1.CCNCc1cn(C(C)C)nc1C(F)(F)F.CCOCc1cn(C(C)C)nc1C(F)(F)F.Cc1cc2nc(C(F)(F)F)n(C(C)C)c2cc1C.Cc1cc2ncn(C(C)C)c2cc1C
InChIInChI=1S/C14H17N.C13H13F5N2O.C13H15F3N2.C12H17F3N2.C12H16F2N2.C12H16N2.C12H15N.C11H16F3N3.C11H13F3N2O.C11H13NO.C10H16F3N3.C10H15F3N2O.C10H14F2N2.C8H9F3N2O2/c1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-7(2)20-10-6-8(21-13(16,17)18)4-5-9(10)19-11(20)12(3,14)15;1-7(2)18-11-6-9(4)8(3)5-10(11)17-12(18)13(14,15)16;1-7(2)17-10-6-8(3)4-5-9(10)11(16-17)12(13,14)15;1-6(2)16-11-8(10(15-16)12(13)14)4-3-7-5-9(7)11;1-8(2)14-7-13-11-5-9(3)10(4)6-12(11)14;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-7(2)17-9-4-5-16(3)6-8(9)10(15-17)11(12,13)14;1-6(2)16-9-5-7(17)3-4-8(9)10(15-16)11(12,13)14;1-7(2)9-5-3-8-4-6-10(13)12-11(8)9;1-4-14-5-8-6-16(7(2)3)15-9(8)10(11,12)13;1-4-16-6-8-5-15(7(2)3)14-9(8)10(11,12)13;1-6(2)14-9(7-3-4-7)5-8(13-14)10(11)12;1-4(2)13-3-5(7(14)15)6(12-13)8(9,10)11/h5-10H,4H2,1-3H3;4-7H,1-3H3;5-7H,1-4H3;7-8H,4-6H2,1-3H3;6-7,9,12H,3-5H2,1-2H3;5-8H,1-4H3;4-7,9H,3,8H2,1-2H3;7H,4-6H2,1-3H3;6H,3-5H2,1-2H3;3-7,9H,1-2H3,(H,12,13);6-7,14H,4-5H2,1-3H3;5,7H,4,6H2,1-3H3;5-7,10H,3-4H2,1-2H3;3-4H,1-2H3,(H,14,15)
InChIKeyUMMXGTDNPWBKFB-UHFFFAOYSA-N
XLogP44.20
TPSA323.46 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003160.51
LogP ≤ 544.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Analyze 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 with MolForge

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Related Compounds

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
5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;methane;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;1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 157528244
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-2-(trifluoromethyl)-1H-benzimidazole;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;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 157698689
5-cyclopropyl-3-(difluoromethyl)-1-propan-2-ylpyrazole;2-(1,1-difluoroethyl)-1-propan-2-yl-6-(trifluoromethoxy)benzimidazole;5,6-dimethyl-1-propan-2-ylbenzimidazole;5,6-dimethyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole;2-methylidene-1-propan-2-yl-3H-indole;6-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazole;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;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenamine;1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethenol;N-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 158573726
CID 160812554
CID 160812554
2-chloro-4-propan-2-ylpyridine;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;4-methyl-1-propan-2-ylquinolin-2-one;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;N-methyl-1-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine;7-propan-2-yl-1,5-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;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
CID 162182352
5-cyclopropyl-4-propan-2-yl-1H-indazole;1,6-dimethyl-7-propan-2-ylbenzotriazole;3,6-dimethyl-7-propan-2-yl-2H-indazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;6-methyl-1-propan-2-ylindazole;6-methyl-1-propan-2-yl-2H-indazol-3-one;N-(5-methyl-4-propan-2-yl-1H-indazol-3-yl)acetamide;5-methyl-4-propan-2-yl-3-(trifluoromethyl)-2H-indazole;4-propan-2-yl-1H-benzimidazole;8-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-3H-quinolin-4-one;8-propan-2-yl-3H-quinolin-4-one
CID 167658664
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
N-(12-aminododecyl)-2-(3,3-diphenylpropyl)indazole-6-carboxamide;N,N-bis(3,3-diphenylpropyl)-1H-isoindol-5-amine;N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide;[2-(3,3-diphenylpropyl)indazol-6-yl]-morpholin-4-ylmethanone;2-[2-[2-(3,3-diphenylpropyl)indazol-3-yl]oxyethoxy]ethanol;2-[2-[2-[2-(3,3-diphenylpropyl)indazol-3-yl]oxyethoxy]ethoxy]ethanol;[2-(3,3-diphenylpropyl)indazol-6-yl]-pyrrolidin-1-ylmethanone;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate;2-methylpropyl 2-(3,3-diphenylpropyl)indazole-6-carboxylate
CID 159205781
5-cyclopropyl-4-propan-2-yl-1H-indene;bis(5,6-dimethyl-4-propan-2-yl-1H-indene);5-fluoro-3-propan-2-yl-1H-indene;6-hydroxy-4-propan-2-yl-2,3-dihydroisoindol-1-one;5-methoxy-1-methyl-7-propan-2-ylindole;2-methyl-7-propan-2-yl-3H-benzimidazol-5-ol;1-methyl-4-propan-2-yl-2,3-dihydroindol-6-ol;2-methyl-4-propan-2-ylindazol-6-ol;2-methyl-7-propan-2-ylindazol-5-ol;2-methyl-3-propan-2-yl-1H-indene;5-methyl-4-propan-2-yl-1H-indene;1-methyl-4-propan-2-ylindol-6-amine;1-methyl-4-propan-2-ylindol-6-ol;1-methyl-7-propan-2-ylindol-5-ol;3-propan-2-yl-1H-indene
CID 165079541

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1C=C(C)c2ccccc2N1C(C)C.C=C1Cc2ccccc2N1C(C)C.CC(C)C1C=Cc2ccc(=O)[nH]c21.CC(C)n1c(C(C)(F)F)nc2ccc(OC(F)(F)F)cc21.CC(C)n1cc(C(=O)O)c(C(F)(F)F)n1.CC(C)n1nc(C(F)(F)F)c2c1CC(=O)CC2.CC(C)n1nc(C(F)(F)F)c2c1CCN(C)C2.CC(C)n1nc(C(F)F)c2c1C1CC1CC2.CC(C)n1nc(C(F)F)cc1C1CC1.CC1CCc2c(C(F)(F)F)nn(C(C)C)c2C1.CCNCc1cn(C(C)C)nc1C(F)(F)F.CCOCc1cn(C(C)C)nc1C(F)(F)F.Cc1cc2nc(C(F)(F)F)n(C(C)C)c2cc1C.Cc1cc2ncn(C(C)C)c2cc1C.
What is the InChIKey of 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?
The InChIKey is UMMXGTDNPWBKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.C13H13F5N2O.C13H15F3N2.C12H17F3N2.C12H16F2N2.C12H16N2.C12H15N.C11H16F3N3.C11H13F3N2O.C11H13NO.C10H16F3N3.C10H15F3N2O.C10H14F2N2.C8H9F3N2O2/c1-10(2)15-12(4)9-11(3)13-7-5-6-8-14(13)15;1-7(2)20-10-6-8(21-13(16,17)18)4-5-9(10)19-11(20)12(3,14)15;1-7(2)18-11-6-9(4)8(3)5-10(11)17-12(18)13(14,15)16;1-7(2)17-10-6-8(3)4-5-9(10)11(16-17)12(13,14)15;1-6(2)16-11-8(10(15-16)12(13)14)4-3-7-5-9(7)11;1-8(2)14-7-13-11-5-9(3)10(4)6-12(11)14;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-7(2)17-9-4-5-16(3)6-8(9)10(15-17)11(12,13)14;1-6(2)16-9-5-7(17)3-4-8(9)10(15-16)11(12,13)14;1-7(2)9-5-3-8-4-6-10(13)12-11(8)9;1-4-14-5-8-6-16(7(2)3)15-9(8)10(11,12)13;1-4-16-6-8-5-15(7(2)3)14-9(8)10(11,12)13;1-6(2)14-9(7-3-4-7)5-8(13-14)10(11)12;1-4(2)13-3-5(7(14)15)6(12-13)8(9,10)11/h5-10H,4H2,1-3H3;4-7H,1-3H3;5-7H,1-4H3;7-8H,4-6H2,1-3H3;6-7,9,12H,3-5H2,1-2H3;5-8H,1-4H3;4-7,9H,3,8H2,1-2H3;7H,4-6H2,1-3H3;6H,3-5H2,1-2H3;3-7,9H,1-2H3,(H,12,13);6-7,14H,4-5H2,1-3H3;5,7H,4,6H2,1-3H3;5-7,10H,3-4H2,1-2H3;3-4H,1-2H3,(H,14,15).
What are the key properties of 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?
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 has a molecular weight of 3160.51 g/mol, XLogP of 44.20, 26 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161133587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).