1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole

C209H295Cl6F4N23O6S2 — CID 162270115

IUPAC1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole
SMILESC.C.CC(C)c1[nH]ccc1Cl.CC(C)c1c(-c2ccco2)cnn1C.CC(C)c1cc(-c2ccccc2)on1.CC(C)c1cc(-c2cccs2)n[nH]1.CC(C)c1cc(Cl)cc(Cl)c1NS(C)(=O)=O.CC(C)c1cc2ncccn2n1.CC(C)c1cc[nH]c1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1.CC(C)c1ccccc1OC(F)F.CC(C)c1ccnn1C.CC(F)Oc1ccc(C(C)C)cc1.CCn1cc(C(C)C)cn1.CCn1nccc1C(C)C.Cc1c(C(C)C)ccn1C.Cc1cc(C)n2ncc(C(C)C)c2n1.Cc1cc(F)c(Cl)cc1C(C)C.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1nn(C)c(C(C)C)c1C
InChIInChI=1S/C12H13NO.C11H15FO.C11H15N3.C11H14N2O.C10H13Cl2NO2S.C10H12ClF.C10H13Cl.C10H12F2O.C10H12N2S.3C10H14.C9H11Cl.C9H11N3.C9H16N2.C9H15N.C9H12.2C8H14N2.C7H10ClN.C7H12N2.C7H11N.2CH4/c1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10;1-8(2)10-4-6-11(7-5-10)13-9(3)12;1-7(2)10-6-12-14-9(4)5-8(3)13-11(10)14;1-8(2)11-9(7-12-13(11)3)10-5-4-6-14-10;1-6(2)8-4-7(11)5-9(12)10(8)13-16(3,14)15;1-6(2)8-5-9(11)10(12)4-7(8)3;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;3*1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-6(2)9-7(3)8(4)10-11(9)5;1-7(2)9-5-6-10(4)8(9)3;1-8(2)9-6-4-3-5-7-9;1-4-10-6-8(5-9-10)7(2)3;1-4-10-8(7(2)3)5-6-9-10;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;;/h3-9H,1-2H3;4-9H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;4-6,13H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-7,10H,1-2H3;3-7H,1-2H3,(H,11,12);3*4-8H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;6H,1-5H3;5-7H,1-4H3;3-8H,1-2H3;2*5-7H,4H2,1-3H3;3-5,9H,1-2H3;4-6H,1-3H3;3-6,8H,1-2H3;2*1H4
InChIKeyKOEHJQLQBVKBKZ-UHFFFAOYSA-N
MW3578.66 g/mol
LogP63.98
Rot. Bonds33

About 1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole

1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole (PubChem CID 162270115) has the molecular formula C209H295Cl6F4N23O6S2 and a molecular weight of 3578.66 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole
PubChem CID162270115
Molecular FormulaC209H295Cl6F4N23O6S2
Molecular Weight3578.66 g/mol
Exact Mass3573.10
IUPAC Name1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole
SMILESC.C.CC(C)c1[nH]ccc1Cl.CC(C)c1c(-c2ccco2)cnn1C.CC(C)c1cc(-c2ccccc2)on1.CC(C)c1cc(-c2cccs2)n[nH]1.CC(C)c1cc(Cl)cc(Cl)c1NS(C)(=O)=O.CC(C)c1cc2ncccn2n1.CC(C)c1cc[nH]c1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1.CC(C)c1ccccc1OC(F)F.CC(C)c1ccnn1C.CC(F)Oc1ccc(C(C)C)cc1.CCn1cc(C(C)C)cn1.CCn1nccc1C(C)C.Cc1c(C(C)C)ccn1C.Cc1cc(C)n2ncc(C(C)C)c2n1.Cc1cc(F)c(Cl)cc1C(C)C.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1nn(C)c(C(C)C)c1C
InChIInChI=1S/C12H13NO.C11H15FO.C11H15N3.C11H14N2O.C10H13Cl2NO2S.C10H12ClF.C10H13Cl.C10H12F2O.C10H12N2S.3C10H14.C9H11Cl.C9H11N3.C9H16N2.C9H15N.C9H12.2C8H14N2.C7H10ClN.C7H12N2.C7H11N.2CH4/c1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10;1-8(2)10-4-6-11(7-5-10)13-9(3)12;1-7(2)10-6-12-14-9(4)5-8(3)13-11(10)14;1-8(2)11-9(7-12-13(11)3)10-5-4-6-14-10;1-6(2)8-4-7(11)5-9(12)10(8)13-16(3,14)15;1-6(2)8-5-9(11)10(12)4-7(8)3;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;3*1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-6(2)9-7(3)8(4)10-11(9)5;1-7(2)9-5-6-10(4)8(9)3;1-8(2)9-6-4-3-5-7-9;1-4-10-6-8(5-9-10)7(2)3;1-4-10-8(7(2)3)5-6-9-10;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;;/h3-9H,1-2H3;4-9H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;4-6,13H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-7,10H,1-2H3;3-7H,1-2H3,(H,11,12);3*4-8H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;6H,1-5H3;5-7H,1-4H3;3-8H,1-2H3;2*5-7H,4H2,1-3H3;3-5,9H,1-2H3;4-6H,1-3H3;3-6,8H,1-2H3;2*1H4
InChIKeyKOEHJQLQBVKBKZ-UHFFFAOYSA-N
XLogP63.98
TPSA318.47 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds33
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003578.66
LogP ≤ 563.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole with MolForge

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Related Compounds

4-bromo-5-propan-2-yl-1H-imidazole;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;2,4-dichloro-1-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-3-propan-2-ylpyrrole;methane;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;1-propan-2-yl-3-propan-2-yloxybenzene;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162269363
4-bromo-5-propan-2-yl-1H-imidazole;2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;1-cyclopropyl-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1-(difluoromethoxy)-4-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-3-propan-2-ylpyrrole;methane;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-4-propan-2-ylbenzene;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162270128
CID 162280916
CID 162280916
1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;2,4-dichloro-1-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-pyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162280918
4-bromo-5-propan-2-yl-2H-triazole;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;2,4-dichloro-1-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;1-propan-2-yl-3-propan-2-yloxybenzene;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162281889
4-bromo-5-propan-2-yl-1H-imidazole;2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;1-cyclopropyl-4-propan-2-ylbenzene;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-3-propan-2-ylpyrrole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;2-methoxy-1-methyl-3-propan-2-ylbenzene;4-methyl-2-propan-2-yl-1H-pyrrole;1-phenyl-2-propan-2-ylbenzene;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;1-[(5-propan-2-ylfuran-2-yl)methyl]pyrazole;2-propan-2-yl-1H-indole;(2-propan-2-ylphenyl)methanol;1-propan-2-yl-3-propan-2-yloxybenzene;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162281891
4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;5-(1,1-difluoroethyl)-1-methyl-3-propan-2-ylpyrazole;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-5-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrrole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162281995
4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;2-chloro-4-methyl-1-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-5-propan-2-ylpyrazole;1-ethyl-3-propan-2-ylpyrrole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-2-propan-2-yl-1H-pyrrole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole;1-phenyl-4-propan-2-ylbenzene;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162281996
4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;1-chloro-5-fluoro-2-methyl-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-ethyl-5-propan-2-ylpyrazole;4-ethyl-2-propan-2-ylpyridine;4-fluoro-1-iodo-2-propan-2-ylbenzene;methane;tris(1-methyl-2-propan-2-ylbenzene);5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 157746754
1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1-iodo-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162280914
1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;N-(4-chloro-5-fluoro-2-propan-2-ylphenyl)methanesulfonamide;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-5-propan-2-yl-1H-pyrazole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;1-(difluoromethoxy)-4-propan-2-ylbenzene;1,5-dimethyl-4-propan-2-ylpyrazole;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-methyl-5-propan-2-ylpyrazole;5-(1-methyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;5-phenyl-3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole
CID 162280915
1-bromo-2-propan-2-ylbenzene;4-chloro-1,3-dimethyl-5-propan-2-ylpyrazole;1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;1-chloro-5-fluoro-2-methyl-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-(1,3-dimethyl-5-propan-2-ylpyrazol-4-yl)-1,2-oxazole;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-5-propan-2-ylpyrazole;4-ethyl-2-propan-2-ylpyridine;4-fluoro-1-methyl-2-propan-2-ylbenzene;bis(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole
CID 162280917

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole?
The IUPAC name of 1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole (CID 162270115) is 1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole.
What is the SMILES notation for 1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole?
The canonical SMILES for 1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole is C.C.CC(C)c1[nH]ccc1Cl.CC(C)c1c(-c2ccco2)cnn1C.CC(C)c1cc(-c2ccccc2)on1.CC(C)c1cc(-c2cccs2)n[nH]1.CC(C)c1cc(Cl)cc(Cl)c1NS(C)(=O)=O.CC(C)c1cc2ncccn2n1.CC(C)c1cc[nH]c1.CC(C)c1cccc(Cl)c1.CC(C)c1ccccc1.CC(C)c1ccccc1OC(F)F.CC(C)c1ccnn1C.CC(F)Oc1ccc(C(C)C)cc1.CCn1cc(C(C)C)cn1.CCn1nccc1C(C)C.Cc1c(C(C)C)ccn1C.Cc1cc(C)n2ncc(C(C)C)c2n1.Cc1cc(F)c(Cl)cc1C(C)C.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1nn(C)c(C(C)C)c1C.
What is the InChIKey of 1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole?
The InChIKey is KOEHJQLQBVKBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO.C11H15FO.C11H15N3.C11H14N2O.C10H13Cl2NO2S.C10H12ClF.C10H13Cl.C10H12F2O.C10H12N2S.3C10H14.C9H11Cl.C9H11N3.C9H16N2.C9H15N.C9H12.2C8H14N2.C7H10ClN.C7H12N2.C7H11N.2CH4/c1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10;1-8(2)10-4-6-11(7-5-10)13-9(3)12;1-7(2)10-6-12-14-9(4)5-8(3)13-11(10)14;1-8(2)11-9(7-12-13(11)3)10-5-4-6-14-10;1-6(2)8-4-7(11)5-9(12)10(8)13-16(3,14)15;1-6(2)8-5-9(11)10(12)4-7(8)3;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-5-3-4-6-9(8)13-10(11)12;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;3*1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-6-9-10-4-3-5-12(9)11-8;1-6(2)9-7(3)8(4)10-11(9)5;1-7(2)9-5-6-10(4)8(9)3;1-8(2)9-6-4-3-5-7-9;1-4-10-6-8(5-9-10)7(2)3;1-4-10-8(7(2)3)5-6-9-10;1-5(2)7-6(8)3-4-9-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7;;/h3-9H,1-2H3;4-9H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;4-6,13H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-7,10H,1-2H3;3-7H,1-2H3,(H,11,12);3*4-8H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;6H,1-5H3;5-7H,1-4H3;3-8H,1-2H3;2*5-7H,4H2,1-3H3;3-5,9H,1-2H3;4-6H,1-3H3;3-6,8H,1-2H3;2*1H4.
What are the key properties of 1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole?
1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole has a molecular weight of 3578.66 g/mol, XLogP of 63.98, 33 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-methyl-5-propan-2-ylbenzene;2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;3-chloro-2-propan-2-yl-1H-pyrrole;cumene;N-(2,4-dichloro-6-propan-2-ylphenyl)methanesulfonamide;1-(difluoromethoxy)-2-propan-2-ylbenzene;5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;1,2-dimethyl-3-propan-2-ylpyrrole;1-ethyl-4-propan-2-ylpyrazole;1-ethyl-5-propan-2-ylpyrazole;1-(1-fluoroethoxy)-4-propan-2-ylbenzene;4-(furan-2-yl)-1-methyl-5-propan-2-ylpyrazole;methane;tris(1-methyl-2-propan-2-ylbenzene);1-methyl-5-propan-2-ylpyrazole;5-phenyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-propan-2-yl-1H-pyrrole;5-propan-2-yl-3-thiophen-2-yl-1H-pyrazole;1,3,4-trimethyl-5-propan-2-ylpyrazole is sourced from PubChem (CID 162270115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).