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

C189H257BrCl2F3N17O7S — CID 162281891

IUPAC4-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
SMILESCC(C)Oc1cccc(C(C)C)c1.CC(C)c1[nH]ccc1Cl.CC(C)c1[nH]cnc1Br.CC(C)c1cc(-c2ccccc2)on1.CC(C)c1cc(-c2cccs2)n[nH]1.CC(C)c1cc(C(C)(F)F)n(C)n1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc[nH]c1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(Cn2cccn2)o1.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1CO.CC(C)c1ccco1.CC(F)Oc1ccc(C(C)C)cc1.CCn1ccc(C(C)C)c1.COc1c(C)cccc1C(C)C.Cc1c[nH]c(C(C)C)c1.Cc1cc(C)n2ncc(C(C)C)c2n1.Cc1ccc(C(C)C)c(Cl)c1
InChIInChI=1S/C15H16.C12H13NO.C12H18O.C12H16.C11H15FO.C11H15N3.C11H14N2O.C11H13N.C11H16O.C10H13Cl.C10H12N2S.C10H14O.C9H14F2N2.C9H15N.C8H13N.C7H10ClN.C7H11N.C7H10O.C6H9BrN2/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10;1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-9(2)10-3-5-11(6-4-10)12-7-8-12;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;1-9(2)11-5-4-10(14-11)8-13-7-3-6-12-13;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-5-6-9(3)11(10)12-4;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-8(2)10-6-4-3-5-9(10)7-11;1-6(2)7-5-8(9(3,10)11)13(4)12-7;1-4-10-6-5-9(7-10)8(2)3;1-6(2)8-4-7(3)5-9-8;1-5(2)7-6(8)3-4-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2)5-6(7)9-3-8-5/h3-12H,1-2H3;3-9H,1-2H3;5-10H,1-4H3;3-6,9,12H,7-8H2,1-2H3;4-9H,1-3H3;5-7H,1-4H3;3-7,9H,8H2,1-2H3;3-8,12H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-6,8,11H,7H2,1-2H3;5-6H,1-4H3;5-8H,4H2,1-3H3;4-6,9H,1-3H3;3-5,9H,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;3-4H,1-2H3,(H,8,9)
InChIKeyQDDBTCLFFCJJHD-UHFFFAOYSA-N
MW3119.12 g/mol
LogP56.96
Rot. Bonds33

About 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

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 (PubChem CID 162281891) has the molecular formula C189H257BrCl2F3N17O7S and a molecular weight of 3119.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID162281891
Molecular FormulaC189H257BrCl2F3N17O7S
Molecular Weight3119.12 g/mol
Exact Mass3114.85
IUPAC Name4-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
SMILESCC(C)Oc1cccc(C(C)C)c1.CC(C)c1[nH]ccc1Cl.CC(C)c1[nH]cnc1Br.CC(C)c1cc(-c2ccccc2)on1.CC(C)c1cc(-c2cccs2)n[nH]1.CC(C)c1cc(C(C)(F)F)n(C)n1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc[nH]c1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(Cn2cccn2)o1.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1CO.CC(C)c1ccco1.CC(F)Oc1ccc(C(C)C)cc1.CCn1ccc(C(C)C)c1.COc1c(C)cccc1C(C)C.Cc1c[nH]c(C(C)C)c1.Cc1cc(C)n2ncc(C(C)C)c2n1.Cc1ccc(C(C)C)c(Cl)c1
InChIInChI=1S/C15H16.C12H13NO.C12H18O.C12H16.C11H15FO.C11H15N3.C11H14N2O.C11H13N.C11H16O.C10H13Cl.C10H12N2S.C10H14O.C9H14F2N2.C9H15N.C8H13N.C7H10ClN.C7H11N.C7H10O.C6H9BrN2/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10;1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-9(2)10-3-5-11(6-4-10)12-7-8-12;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;1-9(2)11-5-4-10(14-11)8-13-7-3-6-12-13;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-5-6-9(3)11(10)12-4;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-8(2)10-6-4-3-5-9(10)7-11;1-6(2)7-5-8(9(3,10)11)13(4)12-7;1-4-10-6-5-9(7-10)8(2)3;1-6(2)8-4-7(3)5-9-8;1-5(2)7-6(8)3-4-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2)5-6(7)9-3-8-5/h3-12H,1-2H3;3-9H,1-2H3;5-10H,1-4H3;3-6,9,12H,7-8H2,1-2H3;4-9H,1-3H3;5-7H,1-4H3;3-7,9H,8H2,1-2H3;3-8,12H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-6,8,11H,7H2,1-2H3;5-6H,1-4H3;5-8H,4H2,1-3H3;4-6,9H,1-3H3;3-5,9H,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;3-4H,1-2H3,(H,8,9)
InChIKeyQDDBTCLFFCJJHD-UHFFFAOYSA-N
XLogP56.96
TPSA291.51 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds33
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003119.12
LogP ≤ 556.96
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;3-propan-2-ylphenol;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 158930207
N-benzylpropan-2-amine;3-chloro-4-propan-2-ylphenol;cumene;1,3-dimethyl-4-propan-2-ylimidazol-1-ium;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;4-methoxy-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;N-propan-2-ylaniline;N-propan-2-ylbenzenesulfonamide;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;4-propan-2-ylmorpholine;(3-propan-2-ylphenyl)methanol;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 159079958
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
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-2H-triazole;1-cyclopropyl-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1-(2,2-difluoroethyl)-5-methyl-3-propan-2-ylpyrazole;1-(difluoromethoxy)-4-propan-2-ylbenzene;1,5-dimethyl-3-propan-2-ylpyrazole;2-methoxy-1-methyl-3-propan-2-ylbenzene;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole;1-phenyl-2-propan-2-ylbenzene;1-phenyl-4-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-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine
CID 162281890
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Oc1cccc(C(C)C)c1.CC(C)c1[nH]ccc1Cl.CC(C)c1[nH]cnc1Br.CC(C)c1cc(-c2ccccc2)on1.CC(C)c1cc(-c2cccs2)n[nH]1.CC(C)c1cc(C(C)(F)F)n(C)n1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cc[nH]c1.CC(C)c1ccc(C2CC2)cc1.CC(C)c1ccc(Cn2cccn2)o1.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1CO.CC(C)c1ccco1.CC(F)Oc1ccc(C(C)C)cc1.CCn1ccc(C(C)C)c1.COc1c(C)cccc1C(C)C.Cc1c[nH]c(C(C)C)c1.Cc1cc(C)n2ncc(C(C)C)c2n1.Cc1ccc(C(C)C)c(Cl)c1.
What is the InChIKey of 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?
The InChIKey is QDDBTCLFFCJJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C12H13NO.C12H18O.C12H16.C11H15FO.C11H15N3.C11H14N2O.C11H13N.C11H16O.C10H13Cl.C10H12N2S.C10H14O.C9H14F2N2.C9H15N.C8H13N.C7H10ClN.C7H11N.C7H10O.C6H9BrN2/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-9(2)11-8-12(14-13-11)10-6-4-3-5-7-10;1-9(2)11-6-5-7-12(8-11)13-10(3)4;1-9(2)10-3-5-11(6-4-10)12-7-8-12;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;1-9(2)11-5-4-10(14-11)8-13-7-3-6-12-13;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-5-6-9(3)11(10)12-4;1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-6-9(12-11-8)10-4-3-5-13-10;1-8(2)10-6-4-3-5-9(10)7-11;1-6(2)7-5-8(9(3,10)11)13(4)12-7;1-4-10-6-5-9(7-10)8(2)3;1-6(2)8-4-7(3)5-9-8;1-5(2)7-6(8)3-4-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-4(2)5-6(7)9-3-8-5/h3-12H,1-2H3;3-9H,1-2H3;5-10H,1-4H3;3-6,9,12H,7-8H2,1-2H3;4-9H,1-3H3;5-7H,1-4H3;3-7,9H,8H2,1-2H3;3-8,12H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);3-6,8,11H,7H2,1-2H3;5-6H,1-4H3;5-8H,4H2,1-3H3;4-6,9H,1-3H3;3-5,9H,1-2H3;3-6,8H,1-2H3;3-6H,1-2H3;3-4H,1-2H3,(H,8,9).
What are the key properties of 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?
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 has a molecular weight of 3119.12 g/mol, XLogP of 56.96, 33 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162281891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).