5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one

C159H211BrF23N29O8S — CID 159756559

IUPAC5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESC.CC(=O)N1Cc2c(C(C)(F)F)nn(C(C)C)c2C1.CC(C)C1CC12C(=O)Nc1ccccc12.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)c1cccc2ccccc12.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(F)F)c2c1CC(=O)C2.CC(C)n1nc(C(C)(F)F)c2c1CCSC2.CC(C)n1nc(C(C)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(C)(F)F)c2c1CN(C)C2.CC(C)n1nc(C(F)(F)F)cc1Br.CC(C)n1nc(C(F)F)c2c1C(=O)C1CC21.CC(C)n1nc2c(c1C(F)F)C1CC1C2=O.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.Cc1ccc2c(c1C)NC(=O)C2C(C)C
InChIInChI=1S/C15H23F2N3O2.C13H15NO.C13H17NO.C13H14.C12H17F2N3O.C11H15F3N2.C11H17F2N3.2C11H12F2N2O.C11H14F2N2O.C11H16F2N2S.C10H15F3N2.C9H12N4.C7H8BrF3N2.CH4/c1-9(2)20-11-8-19(13(21)22-14(3,4)5)7-10(11)12(18-20)15(6,16)17;1-8(2)10-7-13(10)9-5-3-4-6-11(9)14-12(13)15;1-7(2)11-10-6-5-8(3)9(4)12(10)14-13(11)15;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)17-10-6-16(8(3)18)5-9(10)11(15-17)12(4,13)14;1-6(2)16-9-5-7(3)4-8(9)10(15-16)11(12,13)14;1-7(2)16-9-6-15(4)5-8(9)10(14-16)11(3,12)13;1-4(2)15-9-7(8(14-15)11(12)13)5-3-6(5)10(9)16;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-6(2)15-9-5-7(16)4-8(9)10(14-15)11(3,12)13;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13;1-6(2)8-5-9(10(11,12)13)15(14-8)7(3)4;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13;1-4(2)13-6(8)3-5(12-13)7(9,10)11;/h9H,7-8H2,1-6H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);3-10H,1-2H3;7H,5-6H2,1-4H3;6-7H,4-5H2,1-3H3;7H,5-6H2,1-4H3;2*4-6,11H,3H2,1-2H3;6H,4-5H2,1-3H3;7H,4-6H2,1-3H3;5-7H,1-4H3;3-6H,1-2H3,(H2,10,11,12);3-4H,1-2H3;1H4
InChIKeyNEIKRPCDCWLOAJ-UHFFFAOYSA-N
MW3205.56 g/mol
LogP41.61
Rot. Bonds22

About 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one

5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 159756559) has the molecular formula C159H211BrF23N29O8S and a molecular weight of 3205.56 g/mol. Its IUPAC name is 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID159756559
Molecular FormulaC159H211BrF23N29O8S
Molecular Weight3205.56 g/mol
Exact Mass3202.55
IUPAC Name5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESC.CC(=O)N1Cc2c(C(C)(F)F)nn(C(C)C)c2C1.CC(C)C1CC12C(=O)Nc1ccccc12.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)c1cccc2ccccc12.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(F)F)c2c1CC(=O)C2.CC(C)n1nc(C(C)(F)F)c2c1CCSC2.CC(C)n1nc(C(C)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(C)(F)F)c2c1CN(C)C2.CC(C)n1nc(C(F)(F)F)cc1Br.CC(C)n1nc(C(F)F)c2c1C(=O)C1CC21.CC(C)n1nc2c(c1C(F)F)C1CC1C2=O.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.Cc1ccc2c(c1C)NC(=O)C2C(C)C
InChIInChI=1S/C15H23F2N3O2.C13H15NO.C13H17NO.C13H14.C12H17F2N3O.C11H15F3N2.C11H17F2N3.2C11H12F2N2O.C11H14F2N2O.C11H16F2N2S.C10H15F3N2.C9H12N4.C7H8BrF3N2.CH4/c1-9(2)20-11-8-19(13(21)22-14(3,4)5)7-10(11)12(18-20)15(6,16)17;1-8(2)10-7-13(10)9-5-3-4-6-11(9)14-12(13)15;1-7(2)11-10-6-5-8(3)9(4)12(10)14-13(11)15;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)17-10-6-16(8(3)18)5-9(10)11(15-17)12(4,13)14;1-6(2)16-9-5-7(3)4-8(9)10(15-16)11(12,13)14;1-7(2)16-9-6-15(4)5-8(9)10(14-16)11(3,12)13;1-4(2)15-9-7(8(14-15)11(12)13)5-3-6(5)10(9)16;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-6(2)15-9-5-7(16)4-8(9)10(14-15)11(3,12)13;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13;1-6(2)8-5-9(10(11,12)13)15(14-8)7(3)4;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13;1-4(2)13-6(8)3-5(12-13)7(9,10)11;/h9H,7-8H2,1-6H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);3-10H,1-2H3;7H,5-6H2,1-4H3;6-7H,4-5H2,1-3H3;7H,5-6H2,1-4H3;2*4-6,11H,3H2,1-2H3;6H,4-5H2,1-3H3;7H,4-6H2,1-3H3;5-7H,1-4H3;3-6H,1-2H3,(H2,10,11,12);3-4H,1-2H3;1H4
InChIKeyNEIKRPCDCWLOAJ-UHFFFAOYSA-N
XLogP41.61
TPSA397.43 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds22
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003205.56
LogP ≤ 541.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 159756559) is 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is C.CC(=O)N1Cc2c(C(C)(F)F)nn(C(C)C)c2C1.CC(C)C1CC12C(=O)Nc1ccccc12.CC(C)c1cc(C(F)(F)F)n(C(C)C)n1.CC(C)c1cccc2ccccc12.CC(C)n1ccc2cnc(N)nc21.CC(C)n1nc(C(C)(F)F)c2c1CC(=O)C2.CC(C)n1nc(C(C)(F)F)c2c1CCSC2.CC(C)n1nc(C(C)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2.CC(C)n1nc(C(C)(F)F)c2c1CN(C)C2.CC(C)n1nc(C(F)(F)F)cc1Br.CC(C)n1nc(C(F)F)c2c1C(=O)C1CC21.CC(C)n1nc2c(c1C(F)F)C1CC1C2=O.CC1Cc2c(C(F)(F)F)nn(C(C)C)c2C1.Cc1ccc2c(c1C)NC(=O)C2C(C)C.
What is the InChIKey of 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is NEIKRPCDCWLOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O2.C13H15NO.C13H17NO.C13H14.C12H17F2N3O.C11H15F3N2.C11H17F2N3.2C11H12F2N2O.C11H14F2N2O.C11H16F2N2S.C10H15F3N2.C9H12N4.C7H8BrF3N2.CH4/c1-9(2)20-11-8-19(13(21)22-14(3,4)5)7-10(11)12(18-20)15(6,16)17;1-8(2)10-7-13(10)9-5-3-4-6-11(9)14-12(13)15;1-7(2)11-10-6-5-8(3)9(4)12(10)14-13(11)15;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-7(2)17-10-6-16(8(3)18)5-9(10)11(15-17)12(4,13)14;1-6(2)16-9-5-7(3)4-8(9)10(15-16)11(12,13)14;1-7(2)16-9-6-15(4)5-8(9)10(14-16)11(3,12)13;1-4(2)15-9-7(8(14-15)11(12)13)5-3-6(5)10(9)16;1-4(2)15-9(11(12)13)7-5-3-6(5)10(16)8(7)14-15;1-6(2)15-9-5-7(16)4-8(9)10(14-15)11(3,12)13;1-7(2)15-9-4-5-16-6-8(9)10(14-15)11(3,12)13;1-6(2)8-5-9(10(11,12)13)15(14-8)7(3)4;1-6(2)13-4-3-7-5-11-9(10)12-8(7)13;1-4(2)13-6(8)3-5(12-13)7(9,10)11;/h9H,7-8H2,1-6H3;3-6,8,10H,7H2,1-2H3,(H,14,15);5-7,11H,1-4H3,(H,14,15);3-10H,1-2H3;7H,5-6H2,1-4H3;6-7H,4-5H2,1-3H3;7H,5-6H2,1-4H3;2*4-6,11H,3H2,1-2H3;6H,4-5H2,1-3H3;7H,4-6H2,1-3H3;5-7H,1-4H3;3-6H,1-2H3,(H2,10,11,12);3-4H,1-2H3;1H4.
What are the key properties of 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one?
5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 3205.56 g/mol, XLogP of 41.61, 22 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propan-2-yl-3-(trifluoromethyl)pyrazole;tert-butyl 3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[d]pyrazol-5-one;1-[3-(1,1-difluoroethyl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone;3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole;9-(difluoromethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;9-(difluoromethyl)-8-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;6,7-dimethyl-3-propan-2-yl-1,3-dihydroindol-2-one;1,3-di(propan-2-yl)-5-(trifluoromethyl)pyrazole;methane;5-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-propan-2-ylnaphthalene;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;2'-propan-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 159756559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).