1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole

C253H362Cl5F5N36O9S3 — CID 162282013

IUPAC1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1c2c(nn1C)CCCC2.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(Cl)nn1.CC(C)c1cccc2c1OCC2.CC(C)c1cn[nH]c1-c1ccccc1.CC(C)c1cnc(Cl)cn1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1n[nH]c2c1CCC2.CC(C)c1nc2ccccc2n1C.CCOc1ccccc1C(C)C.CCc1cc(C(C)C)n(C)n1.CCc1ccc(C(C)C)s1.CCc1ocnc1C(C)C.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.COc1ccc(Cl)c(C(C)C)c1.COc1cccc(C(C)C)c1O.Cc1c(Cl)cccc1C(C)C.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(F)F)n1.Cc1cc(C(C)C)on1.Cc1ccc(C(C)C)cc1Cl.Cc1cnc(C(C)C)[nH]1.Cc1cnccc1C(C)C.Cc1ncsc1C(C)C
InChIInChI=1S/C12H14N2.C11H15N3.C11H14N2.C11H18N2.C11H14O.C11H16O.C10H13ClO.2C10H13Cl.C10H12N2O.C10H14O2.C9H11F3O.C9H14N2.3C9H16N2.C9H10N2.C9H13N.C9H14S.C8H12F2N2.C8H13NO.2C7H9ClN2.C7H10N2.C7H12N2.C7H11NO.C7H11NS.C6H9NS/c1-9(2)11-8-13-14-12(11)10-6-4-3-5-7-10;1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-4-12-11-8-6-5-7-10(11)9(2)3;1-7(2)9-6-8(12-3)4-5-10(9)11;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-6-10(11)8(9)3;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)8-5-4-6-9(12-3)10(8)11;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-6(2)9-7-4-3-5-8(7)10-11-9;1-5-8-6-9(7(2)3)11(4)10-8;1-5-11-8(4)6-9(10-11)7(2)3;1-5-11-9(7(2)3)6-8(4)10-11;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-4-5-10-6-8(9)3;1-4-8-5-6-9(10-8)7(2)3;1-5(2)7-4-6(3)11-12(7)8(9)10;1-4-7-8(6(2)3)9-5-10-7;1-5(2)6-3-10-7(8)4-9-6;1-5(2)6-3-4-7(8)10-9-6;1-6(2)7-3-8-5-9-4-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-6(3)8-4-9-7;1-5(2)6-3-7-4-8-6/h3-9H,1-2H3,(H,13,14);5-7H,1-4H3;4-8H,1-3H3;8H,4-7H2,1-3H3;3-5,8H,6-7H2,1-2H3;5-9H,4H2,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-7,11H,1-3H3;4-5H,1-3H3;6H,3-5H2,1-2H3,(H,10,11);3*6-7H,5H2,1-4H3;3-4,6-7H,1-2H3;4-7H,1-3H3;5-7H,4H2,1-3H3;4-5,8H,1-3H3;5-6H,4H2,1-3H3;2*3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3
InChIKeyKKXMSIFYKWHTCS-UHFFFAOYSA-N
MW4420.38 g/mol
LogP73.52
Rot. Bonds40

About 1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole

1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole (PubChem CID 162282013) has the molecular formula C253H362Cl5F5N36O9S3 and a molecular weight of 4420.38 g/mol. Its IUPAC name is 1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole
PubChem CID162282013
Molecular FormulaC253H362Cl5F5N36O9S3
Molecular Weight4420.38 g/mol
Exact Mass4414.65
IUPAC Name1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1c2c(nn1C)CCCC2.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(Cl)nn1.CC(C)c1cccc2c1OCC2.CC(C)c1cn[nH]c1-c1ccccc1.CC(C)c1cnc(Cl)cn1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1n[nH]c2c1CCC2.CC(C)c1nc2ccccc2n1C.CCOc1ccccc1C(C)C.CCc1cc(C(C)C)n(C)n1.CCc1ccc(C(C)C)s1.CCc1ocnc1C(C)C.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.COc1ccc(Cl)c(C(C)C)c1.COc1cccc(C(C)C)c1O.Cc1c(Cl)cccc1C(C)C.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(F)F)n1.Cc1cc(C(C)C)on1.Cc1ccc(C(C)C)cc1Cl.Cc1cnc(C(C)C)[nH]1.Cc1cnccc1C(C)C.Cc1ncsc1C(C)C
InChIInChI=1S/C12H14N2.C11H15N3.C11H14N2.C11H18N2.C11H14O.C11H16O.C10H13ClO.2C10H13Cl.C10H12N2O.C10H14O2.C9H11F3O.C9H14N2.3C9H16N2.C9H10N2.C9H13N.C9H14S.C8H12F2N2.C8H13NO.2C7H9ClN2.C7H10N2.C7H12N2.C7H11NO.C7H11NS.C6H9NS/c1-9(2)11-8-13-14-12(11)10-6-4-3-5-7-10;1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-4-12-11-8-6-5-7-10(11)9(2)3;1-7(2)9-6-8(12-3)4-5-10(9)11;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-6-10(11)8(9)3;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)8-5-4-6-9(12-3)10(8)11;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-6(2)9-7-4-3-5-8(7)10-11-9;1-5-8-6-9(7(2)3)11(4)10-8;1-5-11-8(4)6-9(10-11)7(2)3;1-5-11-9(7(2)3)6-8(4)10-11;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-4-5-10-6-8(9)3;1-4-8-5-6-9(10-8)7(2)3;1-5(2)7-4-6(3)11-12(7)8(9)10;1-4-7-8(6(2)3)9-5-10-7;1-5(2)6-3-10-7(8)4-9-6;1-5(2)6-3-4-7(8)10-9-6;1-6(2)7-3-8-5-9-4-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-6(3)8-4-9-7;1-5(2)6-3-7-4-8-6/h3-9H,1-2H3,(H,13,14);5-7H,1-4H3;4-8H,1-3H3;8H,4-7H2,1-3H3;3-5,8H,6-7H2,1-2H3;5-9H,4H2,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-7,11H,1-3H3;4-5H,1-3H3;6H,3-5H2,1-2H3,(H,10,11);3*6-7H,5H2,1-4H3;3-4,6-7H,1-2H3;4-7H,1-3H3;5-7H,4H2,1-3H3;4-5,8H,1-3H3;5-6H,4H2,1-3H3;2*3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3
InChIKeyKKXMSIFYKWHTCS-UHFFFAOYSA-N
XLogP73.52
TPSA540.53 Ų
H-Bond Donors5
H-Bond Acceptors44
Rotatable Bonds40
Heavy Atoms311
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004420.38
LogP ≤ 573.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1044

Analyze 1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole with MolForge

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What is the IUPAC name of 1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of 1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole (CID 162282013) is 1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole is CC(C)c1c2c(nn1C)CCCC2.CC(C)c1cc(-c2ccco2)n[nH]1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(Cl)nn1.CC(C)c1cccc2c1OCC2.CC(C)c1cn[nH]c1-c1ccccc1.CC(C)c1cnc(Cl)cn1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1n[nH]c2c1CCC2.CC(C)c1nc2ccccc2n1C.CCOc1ccccc1C(C)C.CCc1cc(C(C)C)n(C)n1.CCc1ccc(C(C)C)s1.CCc1ocnc1C(C)C.CCn1nc(C(C)C)cc1C.CCn1nc(C)cc1C(C)C.COc1ccc(Cl)c(C(C)C)c1.COc1cccc(C(C)C)c1O.Cc1c(Cl)cccc1C(C)C.Cc1cc(C(C)C)c(C(F)(F)F)o1.Cc1cc(C(C)C)c2cnn(C)c2n1.Cc1cc(C(C)C)n(C(F)F)n1.Cc1cc(C(C)C)on1.Cc1ccc(C(C)C)cc1Cl.Cc1cnc(C(C)C)[nH]1.Cc1cnccc1C(C)C.Cc1ncsc1C(C)C.
What is the InChIKey of 1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is KKXMSIFYKWHTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C11H15N3.C11H14N2.C11H18N2.C11H14O.C11H16O.C10H13ClO.2C10H13Cl.C10H12N2O.C10H14O2.C9H11F3O.C9H14N2.3C9H16N2.C9H10N2.C9H13N.C9H14S.C8H12F2N2.C8H13NO.2C7H9ClN2.C7H10N2.C7H12N2.C7H11NO.C7H11NS.C6H9NS/c1-9(2)11-8-13-14-12(11)10-6-4-3-5-7-10;1-7(2)9-5-8(3)13-11-10(9)6-12-14(11)4;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-8(2)11-9-6-4-5-7-10(9)12-13(11)3;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-4-12-11-8-6-5-7-10(11)9(2)3;1-7(2)9-6-8(12-3)4-5-10(9)11;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-5-4-6-10(11)8(9)3;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-7(2)8-5-4-6-9(12-3)10(8)11;1-5(2)7-4-6(3)13-8(7)9(10,11)12;1-6(2)9-7-4-3-5-8(7)10-11-9;1-5-8-6-9(7(2)3)11(4)10-8;1-5-11-8(4)6-9(10-11)7(2)3;1-5-11-9(7(2)3)6-8(4)10-11;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)9-4-5-10-6-8(9)3;1-4-8-5-6-9(10-8)7(2)3;1-5(2)7-4-6(3)11-12(7)8(9)10;1-4-7-8(6(2)3)9-5-10-7;1-5(2)6-3-10-7(8)4-9-6;1-5(2)6-3-4-7(8)10-9-6;1-6(2)7-3-8-5-9-4-7;1-5(2)7-8-4-6(3)9-7;1-5(2)7-4-6(3)8-9-7;1-5(2)7-6(3)8-4-9-7;1-5(2)6-3-7-4-8-6/h3-9H,1-2H3,(H,13,14);5-7H,1-4H3;4-8H,1-3H3;8H,4-7H2,1-3H3;3-5,8H,6-7H2,1-2H3;5-9H,4H2,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;3-7H,1-2H3,(H,11,12);4-7,11H,1-3H3;4-5H,1-3H3;6H,3-5H2,1-2H3,(H,10,11);3*6-7H,5H2,1-4H3;3-4,6-7H,1-2H3;4-7H,1-3H3;5-7H,4H2,1-3H3;4-5,8H,1-3H3;5-6H,4H2,1-3H3;2*3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3,(H,8,9);2*4-5H,1-3H3;3-5H,1-2H3.
What are the key properties of 1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole?
1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 4420.38 g/mol, XLogP of 73.52, 40 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methoxy-2-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;1-(difluoromethyl)-3-methyl-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;2-methoxy-6-propan-2-ylphenol;1-methyl-2-propan-2-ylbenzimidazole;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;4-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;5-phenyl-4-propan-2-yl-1H-pyrazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyrimidine;3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 162282013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).