4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole

C166H212BrClF20N24O5 — CID 161275756

IUPAC4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
SMILESC=C1N(C2=CCCCC2)c2ccccc2N1C(C)C.C=Cc1c(C(C)F)nn(C(C)C)c1C(F)F.CC(C)c1ccccn1.CC(C)c1cn(C)c2ccc(N)cc12.CC(C)n1c2c(c3ccccc31)C(=O)CCC2.CC(C)n1c2c(c3ccccc31)CCCC2.CC(C)n1cc(C(F)(F)F)cn1.CC(C)n1ccc2cc(F)c(Cl)cc21.CC(C)n1nc(C(C)(F)F)c2c1C(=O)C1CC21.CC(C)n1nc(C(C)(F)F)c2c1C(=O)CC2(F)F.CC(F)c1nn(C(C)C)c(C(F)F)c1Br.CC(F)c1nn(C(C)C)c(C(F)F)c1C1CC1.COC1CN(C(=O)c2cc(C(C)C)n(C(C)C)n2)C1.Cc1cc2cc(F)ccc2n1C(C)C
InChIInChI=1S/C17H22N2.C15H17NO.C15H19N.C14H23N3O2.C12H17F3N2.C12H14F2N2O.C12H14FN.C12H16N2.C11H11ClFN.C11H12F4N2O.C11H15F3N2.C9H12BrF3N2.C8H11N.C7H9F3N2/c1-13(2)18-14(3)19(15-9-5-4-6-10-15)17-12-8-7-11-16(17)18;1-10(2)16-12-7-4-3-6-11(12)15-13(16)8-5-9-14(15)17;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-9(2)13-6-12(15-17(13)10(3)4)14(18)16-7-11(8-16)19-5;1-6(2)17-11(12(14)15)9(8-4-5-8)10(16-17)7(3)13;1-5(2)16-9-8(6-4-7(6)10(9)17)11(15-16)12(3,13)14;1-8(2)14-9(3)6-10-7-11(13)4-5-12(10)14;1-8(2)11-7-14(3)12-5-4-9(13)6-10(11)12;1-7(2)14-4-3-8-5-10(13)9(12)6-11(8)14;1-5(2)17-8-6(18)4-11(14,15)7(8)9(16-17)10(3,12)13;1-5-8-9(7(4)12)15-16(6(2)3)10(8)11(13)14;1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11;1-7(2)8-5-3-4-6-9-8;1-5(2)12-4-6(3-11-12)7(8,9)10/h7-9,11-13H,3-6,10H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;3,5,7,9,11H,4,6,8,10H2,1-2H3;6,9-11H,7-8H2,1-5H3;6-8,12H,4-5H2,1-3H3;5-7H,4H2,1-3H3;4-8H,1-3H3;4-8H,13H2,1-3H3;3-7H,1-2H3;5H,4H2,1-3H3;5-7,11H,1H2,2-4H3;4-5,9H,1-3H3;3-7H,1-2H3;3-5H,1-2H3
InChIKeyVEKOKFRXYKMINJ-UHFFFAOYSA-N
MW3119.00 g/mol
LogP48.52
Rot. Bonds28

About 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole

4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole (PubChem CID 161275756) has the molecular formula C166H212BrClF20N24O5 and a molecular weight of 3119.00 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
PubChem CID161275756
Molecular FormulaC166H212BrClF20N24O5
Molecular Weight3119.00 g/mol
Exact Mass3115.56
IUPAC Name4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
SMILESC=C1N(C2=CCCCC2)c2ccccc2N1C(C)C.C=Cc1c(C(C)F)nn(C(C)C)c1C(F)F.CC(C)c1ccccn1.CC(C)c1cn(C)c2ccc(N)cc12.CC(C)n1c2c(c3ccccc31)C(=O)CCC2.CC(C)n1c2c(c3ccccc31)CCCC2.CC(C)n1cc(C(F)(F)F)cn1.CC(C)n1ccc2cc(F)c(Cl)cc21.CC(C)n1nc(C(C)(F)F)c2c1C(=O)C1CC21.CC(C)n1nc(C(C)(F)F)c2c1C(=O)CC2(F)F.CC(F)c1nn(C(C)C)c(C(F)F)c1Br.CC(F)c1nn(C(C)C)c(C(F)F)c1C1CC1.COC1CN(C(=O)c2cc(C(C)C)n(C(C)C)n2)C1.Cc1cc2cc(F)ccc2n1C(C)C
InChIInChI=1S/C17H22N2.C15H17NO.C15H19N.C14H23N3O2.C12H17F3N2.C12H14F2N2O.C12H14FN.C12H16N2.C11H11ClFN.C11H12F4N2O.C11H15F3N2.C9H12BrF3N2.C8H11N.C7H9F3N2/c1-13(2)18-14(3)19(15-9-5-4-6-10-15)17-12-8-7-11-16(17)18;1-10(2)16-12-7-4-3-6-11(12)15-13(16)8-5-9-14(15)17;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-9(2)13-6-12(15-17(13)10(3)4)14(18)16-7-11(8-16)19-5;1-6(2)17-11(12(14)15)9(8-4-5-8)10(16-17)7(3)13;1-5(2)16-9-8(6-4-7(6)10(9)17)11(15-16)12(3,13)14;1-8(2)14-9(3)6-10-7-11(13)4-5-12(10)14;1-8(2)11-7-14(3)12-5-4-9(13)6-10(11)12;1-7(2)14-4-3-8-5-10(13)9(12)6-11(8)14;1-5(2)17-8-6(18)4-11(14,15)7(8)9(16-17)10(3,12)13;1-5-8-9(7(4)12)15-16(6(2)3)10(8)11(13)14;1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11;1-7(2)8-5-3-4-6-9-8;1-5(2)12-4-6(3-11-12)7(8,9)10/h7-9,11-13H,3-6,10H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;3,5,7,9,11H,4,6,8,10H2,1-2H3;6,9-11H,7-8H2,1-5H3;6-8,12H,4-5H2,1-3H3;5-7H,4H2,1-3H3;4-8H,1-3H3;4-8H,13H2,1-3H3;3-7H,1-2H3;5H,4H2,1-3H3;5-7,11H,1H2,2-4H3;4-5,9H,1-3H3;3-7H,1-2H3;3-5H,1-2H3
InChIKeyVEKOKFRXYKMINJ-UHFFFAOYSA-N
XLogP48.52
TPSA275.53 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003119.00
LogP ≤ 548.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole with MolForge

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Related Compounds

6-chloro-5-fluoro-1-propan-2-yl-2,3-dihydroindole;1-(cyclohexen-1-yl)-3-propan-2-ylbenzimidazol-2-one;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;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-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
CID 162075455

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole (CID 161275756) is 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole is C=C1N(C2=CCCCC2)c2ccccc2N1C(C)C.C=Cc1c(C(C)F)nn(C(C)C)c1C(F)F.CC(C)c1ccccn1.CC(C)c1cn(C)c2ccc(N)cc12.CC(C)n1c2c(c3ccccc31)C(=O)CCC2.CC(C)n1c2c(c3ccccc31)CCCC2.CC(C)n1cc(C(F)(F)F)cn1.CC(C)n1ccc2cc(F)c(Cl)cc21.CC(C)n1nc(C(C)(F)F)c2c1C(=O)C1CC21.CC(C)n1nc(C(C)(F)F)c2c1C(=O)CC2(F)F.CC(F)c1nn(C(C)C)c(C(F)F)c1Br.CC(F)c1nn(C(C)C)c(C(F)F)c1C1CC1.COC1CN(C(=O)c2cc(C(C)C)n(C(C)C)n2)C1.Cc1cc2cc(F)ccc2n1C(C)C.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?
The InChIKey is VEKOKFRXYKMINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2.C15H17NO.C15H19N.C14H23N3O2.C12H17F3N2.C12H14F2N2O.C12H14FN.C12H16N2.C11H11ClFN.C11H12F4N2O.C11H15F3N2.C9H12BrF3N2.C8H11N.C7H9F3N2/c1-13(2)18-14(3)19(15-9-5-4-6-10-15)17-12-8-7-11-16(17)18;1-10(2)16-12-7-4-3-6-11(12)15-13(16)8-5-9-14(15)17;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-9(2)13-6-12(15-17(13)10(3)4)14(18)16-7-11(8-16)19-5;1-6(2)17-11(12(14)15)9(8-4-5-8)10(16-17)7(3)13;1-5(2)16-9-8(6-4-7(6)10(9)17)11(15-16)12(3,13)14;1-8(2)14-9(3)6-10-7-11(13)4-5-12(10)14;1-8(2)11-7-14(3)12-5-4-9(13)6-10(11)12;1-7(2)14-4-3-8-5-10(13)9(12)6-11(8)14;1-5(2)17-8-6(18)4-11(14,15)7(8)9(16-17)10(3,12)13;1-5-8-9(7(4)12)15-16(6(2)3)10(8)11(13)14;1-4(2)15-8(9(12)13)6(10)7(14-15)5(3)11;1-7(2)8-5-3-4-6-9-8;1-5(2)12-4-6(3-11-12)7(8,9)10/h7-9,11-13H,3-6,10H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;3,5,7,9,11H,4,6,8,10H2,1-2H3;6,9-11H,7-8H2,1-5H3;6-8,12H,4-5H2,1-3H3;5-7H,4H2,1-3H3;4-8H,1-3H3;4-8H,13H2,1-3H3;3-7H,1-2H3;5H,4H2,1-3H3;5-7,11H,1H2,2-4H3;4-5,9H,1-3H3;3-7H,1-2H3;3-5H,1-2H3.
What are the key properties of 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?
4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole has a molecular weight of 3119.00 g/mol, XLogP of 48.52, 28 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;6-chloro-5-fluoro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-4,4-difluoro-1-propan-2-yl-5H-cyclopenta[d]pyrazol-6-one;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5-(difluoromethyl)-4-ethenyl-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-methyl-3-propan-2-ylindol-5-amine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 161275756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).