1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine

C168H231F6N47O8S2 — CID 167652360

IUPAC1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine
SMILESCC(C)c1cc(C#N)n(C)c1.CC(C)c1cc(C#N)n(C)n1.CC(C)c1cc(CO)n(C)c1.CC(C)c1cc(CO)n(C)c1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C#N)nc1.CC(C)c1cn(C)c(C#N)n1.CC(C)c1cnc(C#N)cn1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(N)=O)cn1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1CC(F)(F)F.CC(C)c1cnn(C)c1CO.CC(C)c1cnn(C)c1CO.CC(C)c1nc(C#N)co1.CC(C)c1nc(C#N)cs1.CC(C)c1nc(C(N)=O)cn1C.CC(C)c1ncc(C#N)[nH]1.CC(C)c1ncc(C#N)n1C.CC(C)c1ncc(C#N)o1.CC(C)c1ncc(C#N)s1
InChIInChI=1S/C9H13F3N2.C9H12N2.2C9H10N2.2C9H15NO.C8H9F3N2.C8H13N3O.C8H11N3O.3C8H11N3.C8H9N3.2C8H14N2O.C7H9N3.2C7H8N2O.2C7H8N2S.C7H12N2/c1-6(2)7-5-13-14(3)8(7)4-9(10,11)12;1-7(2)8-4-9(5-10)11(3)6-8;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)9-4-3-8(5-10)6-11-9;2*1-7(2)8-4-9(6-11)10(3)5-8;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)8-10-6(7(9)12)4-11(8)3;1-5(2)6-3-11-7(4-10-6)8(9)12;1-6(2)7-5-11(3)8(4-9)10-7;1-6(2)8-10-5-7(4-9)11(8)3;1-6(2)8-4-7(5-9)11(3)10-8;1-6(2)8-5-10-7(3-9)4-11-8;2*1-6(2)7-4-9-10(3)8(7)5-11;1-5(2)7-9-4-6(3-8)10-7;1-5(2)7-9-6(3-8)4-10-7;1-5(2)7-9-4-6(3-8)10-7;1-5(2)7-9-6(3-8)4-10-7;1-5(2)7-9-4-6(3-8)10-7;1-6(2)7-4-8-9(3)5-7/h5-6H,4H2,1-3H3;4,6-7H,1-3H3;2*3-4,6-7H,1-2H3;2*4-5,7,11H,6H2,1-3H3;3-5H,1-2H3;4-5H,1-3H3,(H2,9,12);3-5H,1-2H3,(H2,9,12);2*5-6H,1-3H3;4,6H,1-3H3;4-6H,1-2H3;2*4,6,11H,5H2,1-3H3;4-5H,1-2H3,(H,9,10);4*4-5H,1-2H3;4-6H,1-3H3
InChIKeyQTKPXUYJEMSJBS-UHFFFAOYSA-N
MW3215.14 g/mol
LogP34.42
Rot. Bonds28

About 1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine

1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine (PubChem CID 167652360) has the molecular formula C168H231F6N47O8S2 and a molecular weight of 3215.14 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine
PubChem CID167652360
Molecular FormulaC168H231F6N47O8S2
Molecular Weight3215.14 g/mol
Exact Mass3212.85
IUPAC Name1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine
SMILESCC(C)c1cc(C#N)n(C)c1.CC(C)c1cc(C#N)n(C)n1.CC(C)c1cc(CO)n(C)c1.CC(C)c1cc(CO)n(C)c1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C#N)nc1.CC(C)c1cn(C)c(C#N)n1.CC(C)c1cnc(C#N)cn1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(N)=O)cn1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1CC(F)(F)F.CC(C)c1cnn(C)c1CO.CC(C)c1cnn(C)c1CO.CC(C)c1nc(C#N)co1.CC(C)c1nc(C#N)cs1.CC(C)c1nc(C(N)=O)cn1C.CC(C)c1ncc(C#N)[nH]1.CC(C)c1ncc(C#N)n1C.CC(C)c1ncc(C#N)o1.CC(C)c1ncc(C#N)s1
InChIInChI=1S/C9H13F3N2.C9H12N2.2C9H10N2.2C9H15NO.C8H9F3N2.C8H13N3O.C8H11N3O.3C8H11N3.C8H9N3.2C8H14N2O.C7H9N3.2C7H8N2O.2C7H8N2S.C7H12N2/c1-6(2)7-5-13-14(3)8(7)4-9(10,11)12;1-7(2)8-4-9(5-10)11(3)6-8;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)9-4-3-8(5-10)6-11-9;2*1-7(2)8-4-9(6-11)10(3)5-8;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)8-10-6(7(9)12)4-11(8)3;1-5(2)6-3-11-7(4-10-6)8(9)12;1-6(2)7-5-11(3)8(4-9)10-7;1-6(2)8-10-5-7(4-9)11(8)3;1-6(2)8-4-7(5-9)11(3)10-8;1-6(2)8-5-10-7(3-9)4-11-8;2*1-6(2)7-4-9-10(3)8(7)5-11;1-5(2)7-9-4-6(3-8)10-7;1-5(2)7-9-6(3-8)4-10-7;1-5(2)7-9-4-6(3-8)10-7;1-5(2)7-9-6(3-8)4-10-7;1-5(2)7-9-4-6(3-8)10-7;1-6(2)7-4-8-9(3)5-7/h5-6H,4H2,1-3H3;4,6-7H,1-3H3;2*3-4,6-7H,1-2H3;2*4-5,7,11H,6H2,1-3H3;3-5H,1-2H3;4-5H,1-3H3,(H2,9,12);3-5H,1-2H3,(H2,9,12);2*5-6H,1-3H3;4,6H,1-3H3;4-6H,1-2H3;2*4,6,11H,5H2,1-3H3;4-5H,1-2H3,(H,9,10);4*4-5H,1-2H3;4-6H,1-3H3
InChIKeyQTKPXUYJEMSJBS-UHFFFAOYSA-N
XLogP34.42
TPSA819.57 Ų
H-Bond Donors7
H-Bond Acceptors54
Rotatable Bonds28
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003215.14
LogP ≤ 534.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1054

Analyze 1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine with MolForge

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Launch Full Analysis

Related Compounds

CID 157181702
CID 157181702
cumene;2-cyclopropyl-5-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)pyridine;1-ethyl-4-propan-2-ylbenzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methyl-4-propan-2-ylbenzene;bis(2-methyl-5-propan-2-ylpyridine);4-propan-2-ylbenzoic acid;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;tris(2-propan-2-ylpyridine);3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine);(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157756317
CID 157902277
CID 157902277
CID 158046770
CID 158046770
cumene;2-cyclopropyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylimidazole;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)pyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;methane;2-methyl-5-propan-2-yl-1H-imidazole;pentakis(2-methyl-5-propan-2-ylpyridine);1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 158218996
CID 159328819
CID 159328819
2-cyclopropyl-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2,5-di(propan-2-yl)pyrimidine;2-ethyl-5-propan-2-ylpyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propylpyridine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(5-propan-2-yl-2-pyridinyl)methanol;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 159736945
7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-tert-butyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-tert-butyl-2-pyrimidin-4-yl-1,3-oxazole;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
CID 160608168
4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-tert-butyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;5-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;5-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-tert-butyl-2-pyrimidin-4-yl-1,3-oxazole;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine
CID 160948342
CID 161180427
CID 161180427
CID 161354559
CID 161354559
1-tert-butyl-4-propan-2-ylcyclohexane;2-tert-butyl-5-propan-2-ylthiophene;1,1-difluoro-4-propan-2-ylcyclohexane;1,1-dimethyl-4-propan-2-ylcyclohexane;3,4-dimethyl-1-propan-2-ylpyrrolidine;1,4-di(propan-2-yl)cyclohexane;1-ethyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-phenyl-5-propan-2-ylthiophene;propan-2-ylcyclohexane;propan-2-ylcyclopentane;2-propan-2-ylfuran;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;2-propan-2-yloxolane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-2H-pyrrole;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;2,2,3-trimethylbutan-1-ol
CID 161694450

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine?
The IUPAC name of 1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine (CID 167652360) is 1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine is CC(C)c1cc(C#N)n(C)c1.CC(C)c1cc(C#N)n(C)n1.CC(C)c1cc(CO)n(C)c1.CC(C)c1cc(CO)n(C)c1.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C#N)nc1.CC(C)c1cn(C)c(C#N)n1.CC(C)c1cnc(C#N)cn1.CC(C)c1cnc(C(F)(F)F)cn1.CC(C)c1cnc(C(N)=O)cn1.CC(C)c1cnn(C)c1.CC(C)c1cnn(C)c1CC(F)(F)F.CC(C)c1cnn(C)c1CO.CC(C)c1cnn(C)c1CO.CC(C)c1nc(C#N)co1.CC(C)c1nc(C#N)cs1.CC(C)c1nc(C(N)=O)cn1C.CC(C)c1ncc(C#N)[nH]1.CC(C)c1ncc(C#N)n1C.CC(C)c1ncc(C#N)o1.CC(C)c1ncc(C#N)s1.
What is the InChIKey of 1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine?
The InChIKey is QTKPXUYJEMSJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2.C9H12N2.2C9H10N2.2C9H15NO.C8H9F3N2.C8H13N3O.C8H11N3O.3C8H11N3.C8H9N3.2C8H14N2O.C7H9N3.2C7H8N2O.2C7H8N2S.C7H12N2/c1-6(2)7-5-13-14(3)8(7)4-9(10,11)12;1-7(2)8-4-9(5-10)11(3)6-8;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)9-4-3-8(5-10)6-11-9;2*1-7(2)8-4-9(6-11)10(3)5-8;1-5(2)6-3-13-7(4-12-6)8(9,10)11;1-5(2)8-10-6(7(9)12)4-11(8)3;1-5(2)6-3-11-7(4-10-6)8(9)12;1-6(2)7-5-11(3)8(4-9)10-7;1-6(2)8-10-5-7(4-9)11(8)3;1-6(2)8-4-7(5-9)11(3)10-8;1-6(2)8-5-10-7(3-9)4-11-8;2*1-6(2)7-4-9-10(3)8(7)5-11;1-5(2)7-9-4-6(3-8)10-7;1-5(2)7-9-6(3-8)4-10-7;1-5(2)7-9-4-6(3-8)10-7;1-5(2)7-9-6(3-8)4-10-7;1-5(2)7-9-4-6(3-8)10-7;1-6(2)7-4-8-9(3)5-7/h5-6H,4H2,1-3H3;4,6-7H,1-3H3;2*3-4,6-7H,1-2H3;2*4-5,7,11H,6H2,1-3H3;3-5H,1-2H3;4-5H,1-3H3,(H2,9,12);3-5H,1-2H3,(H2,9,12);2*5-6H,1-3H3;4,6H,1-3H3;4-6H,1-2H3;2*4,6,11H,5H2,1-3H3;4-5H,1-2H3,(H,9,10);4*4-5H,1-2H3;4-6H,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine?
1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine has a molecular weight of 3215.14 g/mol, XLogP of 34.42, 28 rotatable bonds, 7 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylimidazole-2-carbonitrile;3-methyl-2-propan-2-ylimidazole-4-carbonitrile;1-methyl-2-propan-2-ylimidazole-4-carboxamide;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrazole-5-carbonitrile;bis((1-methyl-4-propan-2-ylpyrazol-5-yl)methanol);1-methyl-4-propan-2-ylpyrrole-2-carbonitrile;bis((1-methyl-4-propan-2-ylpyrrol-2-yl)methanol);1-methyl-4-propan-2-yl-5-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-1H-imidazole-5-carbonitrile;2-propan-2-yl-1,3-oxazole-4-carbonitrile;2-propan-2-yl-1,3-oxazole-5-carbonitrile;5-propan-2-ylpyrazine-2-carbonitrile;5-propan-2-ylpyrazine-2-carboxamide;5-propan-2-ylpyridine-2-carbonitrile;6-propan-2-ylpyridine-3-carbonitrile;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-1,3-thiazole-5-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 167652360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).