4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

C249H351Cl2F6N39O2S — CID 162270126

IUPAC4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESC.C.CC(C)Cc1cc(C(C)C)n(C)n1.CC(C)c1cc(-c2ccccn2)n[nH]1.CC(C)c1cc2ccccn2n1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2ncnn12.CC(C)c1ccccc1C(C)(F)F.CC(C)c1cnc(-c2ccccc2)[nH]1.CC(C)c1cnccn1.CC(C)c1nccs1.CCCn1nc(C)cc1C(C)C.COCc1ccc(C(C)C)cc1.Cc1c(C(C)C)nnn1C.Cc1cc(=O)n2[nH]c(C(C)C)nc2n1.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1cc(F)cnc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccc2n[nH]c(C(C)C)c2c1.Cc1cnc(C)c(C(C)C)c1.Cc1cnc(Cl)cc1C(C)C.Cc1nc(C(C)C)ncc1C(C)C.Cc1ncncc1C(C)C
InChIInChI=1S/C12H14N2.2C12H15N.C11H14F2.C11H15F.C11H13N3.C11H14N2.C11H20N2.C11H18N2.C11H16O.C10H13Cl.2C10H13F.C10H14N4.C10H12N2.C10H18N2.C10H15N.C9H12ClN.C9H12FN.C9H12N4O.C9H11N3.C8H12N2.C7H13N3.C7H10N2.C6H9NS.2CH4/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-7(2)10-5-8(3)11(12)9(4)6-10;1-8(2)10-7-11(14-13-10)9-5-3-4-6-12-9;1-7(2)11-9-6-8(3)4-5-10(9)12-13-11;1-8(2)6-10-7-11(9(3)4)13(5)12-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;1-9(2)11-6-4-10(5-7-11)8-12-3;1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-5-6-12-10(8(2)3)7-9(4)11-12;1-7(2)10-5-8(3)6-11-9(10)4;1-6(2)8-4-9(10)11-5-7(8)3;1-6(2)9-7(3)4-8(10)5-11-9;1-5(2)8-11-9-10-6(3)4-7(14)13(9)12-8;1-7(2)8-4-3-5-9-10-6-11-12(8)9;1-6(2)8-4-9-5-10-7(8)3;1-5(2)7-6(3)10(4)9-8-7;1-6(2)7-5-8-3-4-9-7;1-5(2)6-7-3-4-8-6;;/h3-9H,1-2H3,(H,13,14);2*4-9H,1-3H3;4-8H,1-3H3;5-7H,1-4H3;3-8H,1-2H3,(H,13,14);4-7H,1-3H3,(H,12,13);7-9H,6H2,1-5H3;6-8H,1-5H3;4-7,9H,8H2,1-3H3;3*4-7H,1-3H3;5-6H,1-4H3;3-8H,1-2H3;7-8H,5-6H2,1-4H3;5-7H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,10,11,12);3-7H,1-2H3;4-6H,1-3H3;5H,1-4H3;3-6H,1-2H3;3-5H,1-2H3;2*1H4
InChIKeyRWKJCGUNPFHRFZ-UHFFFAOYSA-N
MW4139.78 g/mol
LogP68.58
Rot. Bonds35

About 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 162270126) has the molecular formula C249H351Cl2F6N39O2S and a molecular weight of 4139.78 g/mol. Its IUPAC name is 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID162270126
Molecular FormulaC249H351Cl2F6N39O2S
Molecular Weight4139.78 g/mol
Exact Mass4135.76
IUPAC Name4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESC.C.CC(C)Cc1cc(C(C)C)n(C)n1.CC(C)c1cc(-c2ccccn2)n[nH]1.CC(C)c1cc2ccccn2n1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2ncnn12.CC(C)c1ccccc1C(C)(F)F.CC(C)c1cnc(-c2ccccc2)[nH]1.CC(C)c1cnccn1.CC(C)c1nccs1.CCCn1nc(C)cc1C(C)C.COCc1ccc(C(C)C)cc1.Cc1c(C(C)C)nnn1C.Cc1cc(=O)n2[nH]c(C(C)C)nc2n1.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1cc(F)cnc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccc2n[nH]c(C(C)C)c2c1.Cc1cnc(C)c(C(C)C)c1.Cc1cnc(Cl)cc1C(C)C.Cc1nc(C(C)C)ncc1C(C)C.Cc1ncncc1C(C)C
InChIInChI=1S/C12H14N2.2C12H15N.C11H14F2.C11H15F.C11H13N3.C11H14N2.C11H20N2.C11H18N2.C11H16O.C10H13Cl.2C10H13F.C10H14N4.C10H12N2.C10H18N2.C10H15N.C9H12ClN.C9H12FN.C9H12N4O.C9H11N3.C8H12N2.C7H13N3.C7H10N2.C6H9NS.2CH4/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-7(2)10-5-8(3)11(12)9(4)6-10;1-8(2)10-7-11(14-13-10)9-5-3-4-6-12-9;1-7(2)11-9-6-8(3)4-5-10(9)12-13-11;1-8(2)6-10-7-11(9(3)4)13(5)12-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;1-9(2)11-6-4-10(5-7-11)8-12-3;1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-5-6-12-10(8(2)3)7-9(4)11-12;1-7(2)10-5-8(3)6-11-9(10)4;1-6(2)8-4-9(10)11-5-7(8)3;1-6(2)9-7(3)4-8(10)5-11-9;1-5(2)8-11-9-10-6(3)4-7(14)13(9)12-8;1-7(2)8-4-3-5-9-10-6-11-12(8)9;1-6(2)8-4-9-5-10-7(8)3;1-5(2)7-6(3)10(4)9-8-7;1-6(2)7-5-8-3-4-9-7;1-5(2)6-7-3-4-8-6;;/h3-9H,1-2H3,(H,13,14);2*4-9H,1-3H3;4-8H,1-3H3;5-7H,1-4H3;3-8H,1-2H3,(H,13,14);4-7H,1-3H3,(H,12,13);7-9H,6H2,1-5H3;6-8H,1-5H3;4-7,9H,8H2,1-3H3;3*4-7H,1-3H3;5-6H,1-4H3;3-8H,1-2H3;7-8H,5-6H2,1-4H3;5-7H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,10,11,12);3-7H,1-2H3;4-6H,1-3H3;5H,1-4H3;3-6H,1-2H3;3-5H,1-2H3;2*1H4
InChIKeyRWKJCGUNPFHRFZ-UHFFFAOYSA-N
XLogP68.58
TPSA466.89 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds35
Heavy Atoms299
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004139.78
LogP ≤ 568.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Analyze 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 162270126) is 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is C.C.CC(C)Cc1cc(C(C)C)n(C)n1.CC(C)c1cc(-c2ccccn2)n[nH]1.CC(C)c1cc2ccccn2n1.CC(C)c1ccc2ccn(C)c2c1.CC(C)c1cccc2c1ccn2C.CC(C)c1cccc2ncnn12.CC(C)c1ccccc1C(C)(F)F.CC(C)c1cnc(-c2ccccc2)[nH]1.CC(C)c1cnccn1.CC(C)c1nccs1.CCCn1nc(C)cc1C(C)C.COCc1ccc(C(C)C)cc1.Cc1c(C(C)C)nnn1C.Cc1cc(=O)n2[nH]c(C(C)C)nc2n1.Cc1cc(C(C)C)cc(C)c1F.Cc1cc(C(C)C)ccc1F.Cc1cc(C)n2nc(C(C)C)nc2n1.Cc1cc(F)cnc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccc2n[nH]c(C(C)C)c2c1.Cc1cnc(C)c(C(C)C)c1.Cc1cnc(Cl)cc1C(C)C.Cc1nc(C(C)C)ncc1C(C)C.Cc1ncncc1C(C)C.
What is the InChIKey of 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RWKJCGUNPFHRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.2C12H15N.C11H14F2.C11H15F.C11H13N3.C11H14N2.C11H20N2.C11H18N2.C11H16O.C10H13Cl.2C10H13F.C10H14N4.C10H12N2.C10H18N2.C10H15N.C9H12ClN.C9H12FN.C9H12N4O.C9H11N3.C8H12N2.C7H13N3.C7H10N2.C6H9NS.2CH4/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;1-9(2)11-5-4-10-6-7-13(3)12(10)8-11;1-9(2)10-5-4-6-12-11(10)7-8-13(12)3;1-8(2)9-6-4-5-7-10(9)11(3,12)13;1-7(2)10-5-8(3)11(12)9(4)6-10;1-8(2)10-7-11(14-13-10)9-5-3-4-6-12-9;1-7(2)11-9-6-8(3)4-5-10(9)12-13-11;1-8(2)6-10-7-11(9(3)4)13(5)12-10;1-7(2)10-6-12-11(8(3)4)13-9(10)5;1-9(2)11-6-4-10(5-7-11)8-12-3;1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)9-4-5-10(11)8(3)6-9;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)9-12-10-11-7(3)5-8(4)14(10)13-9;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-5-6-12-10(8(2)3)7-9(4)11-12;1-7(2)10-5-8(3)6-11-9(10)4;1-6(2)8-4-9(10)11-5-7(8)3;1-6(2)9-7(3)4-8(10)5-11-9;1-5(2)8-11-9-10-6(3)4-7(14)13(9)12-8;1-7(2)8-4-3-5-9-10-6-11-12(8)9;1-6(2)8-4-9-5-10-7(8)3;1-5(2)7-6(3)10(4)9-8-7;1-6(2)7-5-8-3-4-9-7;1-5(2)6-7-3-4-8-6;;/h3-9H,1-2H3,(H,13,14);2*4-9H,1-3H3;4-8H,1-3H3;5-7H,1-4H3;3-8H,1-2H3,(H,13,14);4-7H,1-3H3,(H,12,13);7-9H,6H2,1-5H3;6-8H,1-5H3;4-7,9H,8H2,1-3H3;3*4-7H,1-3H3;5-6H,1-4H3;3-8H,1-2H3;7-8H,5-6H2,1-4H3;5-7H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,10,11,12);3-7H,1-2H3;4-6H,1-3H3;5H,1-4H3;3-6H,1-2H3;3-5H,1-2H3;2*1H4.
What are the key properties of 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 4139.78 g/mol, XLogP of 68.58, 35 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;methane;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 162270126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).