5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole

C206H296ClN31O6S11 — CID 159072304

IUPAC5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCC(C)C1=CCC=C1.CC(C)C1=CCC=N1.CC(C)C1=NCC=C1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnn1-c1ccccc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2s1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1nncs1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)c(C)o1.Cc1ncsc1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)c(Cl)c1C(C)C
InChIInChI=1S/C12H14N2.C11H13N.2C10H11NS.2C9H10N2S.C9H16N2.C8H13ClN2.C8H14N2.C8H13NO.C8H12.C7H11NO.2C7H11NS.3C7H11N.2C7H10O.C7H10S.C6H10N2.2C6H9NO.3C6H9NS.C5H8N2S/c1-10(2)12-8-9-13-14(12)11-6-4-3-5-7-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-7(3)10-11(5)8(9)4;1-5(2)7-6(3)10-11(4)8(7)9;1-6(2)8-5-7(3)9-10(8)4;1-5(2)8-6(3)10-7(4)9-8;1-7(2)8-5-3-4-6-8;1-5(2)7-4-6(3)9-8-7;1-5(2)7-6(3)8-4-9-7;1-5(2)7-8-6(3)4-9-7;6*1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h3-10H,1-2H3;3-8,12H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;6H,1-5H3;5H,1-4H3;5-6H,1-4H3;5H,1-4H3;3,5-7H,4H2,1-2H3;3*4-5H,1-3H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;3-4H,1-2H3
InChIKeyJZUVIAHKERBABC-UHFFFAOYSA-N
MW3691.03 g/mol
LogP64.53
Rot. Bonds28

About 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole

5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole (PubChem CID 159072304) has the molecular formula C206H296ClN31O6S11 and a molecular weight of 3691.03 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole
PubChem CID159072304
Molecular FormulaC206H296ClN31O6S11
Molecular Weight3691.03 g/mol
Exact Mass3687.04
IUPAC Name5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCC(C)C1=CCC=C1.CC(C)C1=CCC=N1.CC(C)C1=NCC=C1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnn1-c1ccccc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2s1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1nncs1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)c(C)o1.Cc1ncsc1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)c(Cl)c1C(C)C
InChIInChI=1S/C12H14N2.C11H13N.2C10H11NS.2C9H10N2S.C9H16N2.C8H13ClN2.C8H14N2.C8H13NO.C8H12.C7H11NO.2C7H11NS.3C7H11N.2C7H10O.C7H10S.C6H10N2.2C6H9NO.3C6H9NS.C5H8N2S/c1-10(2)12-8-9-13-14(12)11-6-4-3-5-7-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-7(3)10-11(5)8(9)4;1-5(2)7-6(3)10-11(4)8(7)9;1-6(2)8-5-7(3)9-10(8)4;1-5(2)8-6(3)10-7(4)9-8;1-7(2)8-5-3-4-6-8;1-5(2)7-4-6(3)9-8-7;1-5(2)7-6(3)8-4-9-7;1-5(2)7-8-6(3)4-9-7;6*1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h3-10H,1-2H3;3-8,12H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;6H,1-5H3;5H,1-4H3;5-6H,1-4H3;5H,1-4H3;3,5-7H,4H2,1-2H3;3*4-5H,1-3H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;3-4H,1-2H3
InChIKeyJZUVIAHKERBABC-UHFFFAOYSA-N
XLogP64.53
TPSA454.23 Ų
H-Bond Donors3
H-Bond Acceptors45
Rotatable Bonds28
Heavy Atoms255
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003691.03
LogP ≤ 564.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1045

Analyze 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole with MolForge

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Related Compounds

1H-benzimidazole;1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157674447
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 157712548
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;methane;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157989050
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158019428
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;5H-imidazo[1,2-b]pyrazole;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158082249
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
1-(3-chloro-1,2-oxazol-5-yl)-4-methylpentan-3-one;1-(1,1-dioxothiolan-3-yl)-3-methylbutan-2-one;1-imidazo[1,2-a]pyrimidin-2-yl-4-methylpentan-3-one;methane;1-(5-methoxy-2-methyl-1H-indol-3-yl)-3-methylbutan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-oxazol-4-yl)butan-2-one;3-methyl-1-(5-methyl-2-phenyl-1,3-thiazol-4-yl)butan-2-one;2-(3-methyl-2-oxobutyl)-6-phenyl-4,5-dihydropyridazin-3-one;3-methyl-1-(4-pyridin-2-yltriazol-1-yl)butan-2-one;4-methyl-1-pyrimidin-5-ylpentan-3-one;3-methyl-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butan-2-one
CID 158313228
CID 158592718
CID 158592718
1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1H-imidazo[4,5-b]pyridine;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159079495
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 160409071
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 160673149

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The IUPAC name of 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole (CID 159072304) is 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The canonical SMILES for 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole is CC(C)C1=CCC=C1.CC(C)C1=CCC=N1.CC(C)C1=NCC=C1.CC(C)c1cc2ccccc2[nH]1.CC(C)c1ccc[nH]1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccnn1-c1ccccc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2ccccc2s1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2s1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1nncs1.Cc1cc(C(C)C)n(C)n1.Cc1cc(C(C)C)no1.Cc1csc(C(C)C)n1.Cc1nc(C(C)C)c(C)o1.Cc1ncsc1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)c(Cl)c1C(C)C.
What is the InChIKey of 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The InChIKey is JZUVIAHKERBABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C11H13N.2C10H11NS.2C9H10N2S.C9H16N2.C8H13ClN2.C8H14N2.C8H13NO.C8H12.C7H11NO.2C7H11NS.3C7H11N.2C7H10O.C7H10S.C6H10N2.2C6H9NO.3C6H9NS.C5H8N2S/c1-10(2)12-8-9-13-14(12)11-6-4-3-5-7-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-6(2)9-11-8-7(12-9)4-3-5-10-8;1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-6(2)9-7(3)10-11(5)8(9)4;1-5(2)7-6(3)10-11(4)8(7)9;1-6(2)8-5-7(3)9-10(8)4;1-5(2)8-6(3)10-7(4)9-8;1-7(2)8-5-3-4-6-8;1-5(2)7-4-6(3)9-8-7;1-5(2)7-6(3)8-4-9-7;1-5(2)7-8-6(3)4-9-7;6*1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5/h3-10H,1-2H3;3-8,12H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3;6H,1-5H3;5H,1-4H3;5-6H,1-4H3;5H,1-4H3;3,5-7H,4H2,1-2H3;3*4-5H,1-3H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;3*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);5*3-5H,1-2H3;3-4H,1-2H3.
What are the key properties of 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole?
5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole has a molecular weight of 3691.03 g/mol, XLogP of 64.53, 28 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-5-propan-2-yl-1,3-thiazole;1-phenyl-5-propan-2-ylpyrazole;bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);5-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthiophene;1,3,5-trimethyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 159072304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).