3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole

C223H276F3N25O2 — CID 159925680

IUPAC3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
SMILESC=C(NC)c1cccc(C(C)C)c1F.CC(C)(C)c1cccc(C(=O)N2CC(F)(F)C2)c1.Cc1c(-c2cc[nH]c2)cccc1C(C)C.Cc1c(-c2ccccc2)cccc1C(C)C.Cc1c(-c2ccccn2)cccc1C(C)C.Cc1c(-c2cccnc2)cccc1C(C)C.Cc1c(-c2ccn(C)c2)cccc1C(C)C.Cc1c(-c2ccn(C)n2)cccc1C(C)C.Cc1c(-c2ccn[nH]2)cccc1C(C)C.Cc1c(-c2ccnnc2)cccc1C(C)C.Cc1c(-c2cn(C)cn2)cccc1C(C)C.Cc1c(-c2cncn2C)cccc1C(C)C.Cc1c(-c2cnco2)cccc1C(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.[H]/N=N/N(C=C)c1cccc(C(C)(C)C)c1C
InChIInChI=1S/C16H18.C15H19N.2C15H17N.C14H17F2NO.4C14H18N2.C14H16N2.C14H17N.C13H17N3.C13H19N3.C13H16N2.C13H15NO.C12H16FN/c1-12(2)15-10-7-11-16(13(15)3)14-8-5-4-6-9-14;1-11(2)14-6-5-7-15(12(14)3)13-8-9-16(4)10-13;1-11(2)14-7-4-8-15(12(14)3)13-6-5-9-16-10-13;1-11(2)13-7-6-8-14(12(13)3)15-9-4-5-10-16-15;1-13(2,3)11-6-4-5-10(7-11)12(18)17-8-14(15,16)9-17;1-11-12(14(2,3)4)7-5-8-13(11)16-10-6-9-15-16;1-10(2)12-6-5-7-13(11(12)3)14-8-16(4)9-15-14;1-10(2)12-6-5-7-13(11(12)3)14-8-15-9-16(14)4;1-10(2)12-6-5-7-13(11(12)3)14-8-9-16(4)15-14;1-10(2)13-5-4-6-14(11(13)3)12-7-8-15-16-9-12;1-10(2)13-5-4-6-14(11(13)3)12-7-8-15-9-12;1-10-11(13(2,3)4)6-5-7-12(10)16-9-8-14-15-16;1-6-16(15-14)12-9-7-8-11(10(12)2)13(3,4)5;1-9(2)11-5-4-6-12(10(11)3)13-7-8-14-15-13;1-9(2)11-5-4-6-12(10(11)3)13-7-14-8-15-13;1-8(2)10-6-5-7-11(12(10)13)9(3)14-4/h4-12H,1-3H3;5-11H,1-4H3;2*4-11H,1-3H3;4-7H,8-9H2,1-3H3;4*5-10H,1-4H3;4-10H,1-3H3;4-10,15H,1-3H3;5-9H,1-4H3;6-9,14H,1H2,2-5H3;4-9H,1-3H3,(H,14,15);4-9H,1-3H3;5-8,14H,3H2,1-2,4H3/b;;;;;;;;;;;;15-14+;;;
InChIKeyNYZDWFISSAJBHO-OHODKMGOSA-N
MW3395.83 g/mol
LogP59.55
Rot. Bonds31

About 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole

3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole (PubChem CID 159925680) has the molecular formula C223H276F3N25O2 and a molecular weight of 3395.83 g/mol. Its IUPAC name is 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole.

Molecular Properties

Compound Name3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
PubChem CID159925680
Molecular FormulaC223H276F3N25O2
Molecular Weight3395.83 g/mol
Exact Mass3393.22
IUPAC Name3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
SMILESC=C(NC)c1cccc(C(C)C)c1F.CC(C)(C)c1cccc(C(=O)N2CC(F)(F)C2)c1.Cc1c(-c2cc[nH]c2)cccc1C(C)C.Cc1c(-c2ccccc2)cccc1C(C)C.Cc1c(-c2ccccn2)cccc1C(C)C.Cc1c(-c2cccnc2)cccc1C(C)C.Cc1c(-c2ccn(C)c2)cccc1C(C)C.Cc1c(-c2ccn(C)n2)cccc1C(C)C.Cc1c(-c2ccn[nH]2)cccc1C(C)C.Cc1c(-c2ccnnc2)cccc1C(C)C.Cc1c(-c2cn(C)cn2)cccc1C(C)C.Cc1c(-c2cncn2C)cccc1C(C)C.Cc1c(-c2cnco2)cccc1C(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.[H]/N=N/N(C=C)c1cccc(C(C)(C)C)c1C
InChIInChI=1S/C16H18.C15H19N.2C15H17N.C14H17F2NO.4C14H18N2.C14H16N2.C14H17N.C13H17N3.C13H19N3.C13H16N2.C13H15NO.C12H16FN/c1-12(2)15-10-7-11-16(13(15)3)14-8-5-4-6-9-14;1-11(2)14-6-5-7-15(12(14)3)13-8-9-16(4)10-13;1-11(2)14-7-4-8-15(12(14)3)13-6-5-9-16-10-13;1-11(2)13-7-6-8-14(12(13)3)15-9-4-5-10-16-15;1-13(2,3)11-6-4-5-10(7-11)12(18)17-8-14(15,16)9-17;1-11-12(14(2,3)4)7-5-8-13(11)16-10-6-9-15-16;1-10(2)12-6-5-7-13(11(12)3)14-8-16(4)9-15-14;1-10(2)12-6-5-7-13(11(12)3)14-8-15-9-16(14)4;1-10(2)12-6-5-7-13(11(12)3)14-8-9-16(4)15-14;1-10(2)13-5-4-6-14(11(13)3)12-7-8-15-16-9-12;1-10(2)13-5-4-6-14(11(13)3)12-7-8-15-9-12;1-10-11(13(2,3)4)6-5-7-12(10)16-9-8-14-15-16;1-6-16(15-14)12-9-7-8-11(10(12)2)13(3,4)5;1-9(2)11-5-4-6-12(10(11)3)13-7-8-14-15-13;1-9(2)11-5-4-6-12(10(11)3)13-7-14-8-15-13;1-8(2)10-6-5-7-11(12(10)13)9(3)14-4/h4-12H,1-3H3;5-11H,1-4H3;2*4-11H,1-3H3;4-7H,8-9H2,1-3H3;4*5-10H,1-4H3;4-10H,1-3H3;4-10,15H,1-3H3;5-9H,1-4H3;6-9,14H,1H2,2-5H3;4-9H,1-3H3,(H,14,15);4-9H,1-3H3;5-8,14H,3H2,1-2,4H3/b;;;;;;;;;;;;15-14+;;;
InChIKeyNYZDWFISSAJBHO-OHODKMGOSA-N
XLogP59.55
TPSA300.77 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds31
Heavy Atoms253
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003395.83
LogP ≤ 559.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole with MolForge

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Launch Full Analysis

Related Compounds

1-(3-tert-butyl-2-methylphenyl)pyrazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
CID 157760955
1,5-di(propan-2-yl)benzotriazole;2-fluoro-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-triazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 158433120
3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
CID 158483448
1-(3-tert-butyl-2-methylphenyl)pyrazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)-oxoazanium;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;4-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
CID 158599756
4-(3-tert-butyl-5-fluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-3-fluorophenyl)-1-methylpyrazole;4-(5-tert-butyl-2-fluorophenyl)-1-methylpyrazole;1-tert-butyl-3-methylbenzene;6-tert-butyl-1-methylindazole;bis(5-(3-tert-butylphenyl)-1,3-oxazole);1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene
CID 160078155
1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);4-(3-tert-butyl-2-methylphenyl)-1H-pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;4-(3-tert-butyl-2-methylphenyl)-1,2,4-triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole
CID 161911064
(3-Fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 162029041
N-[[2-fluoro-6-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propan-2-amine;N-[[2-(1H-imidazol-2-yl)phenyl]methyl]propan-2-amine;N-methyl-1-[2-(1-methylpyrazol-3-yl)phenyl]methanamine;N-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]propan-2-amine;N-methyl-1-[2-(1H-pyrazol-5-yl)phenyl]methanamine;N-[[2-(3-methyl-2-pyridinyl)phenyl]methyl]propan-2-amine;N-methyl-1-[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenyl]methanamine;N-[[2-(1,3,4-oxadiazol-2-yl)phenyl]methyl]propan-2-amine;N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]propan-2-amine;N-[[2-(1,3-oxazol-4-yl)phenyl]methyl]propan-2-amine;N-[(2-pyridin-2-ylphenyl)methyl]propan-2-amine;N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
CID 165036792
N-[[2-(4-fluoropyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]propan-2-amine;N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine;N-[[2-(1H-imidazol-5-yl)phenyl]methyl]propan-2-amine;N-[[2-(4-methoxypyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[[2-(1-methylimidazol-4-yl)phenyl]methyl]propan-2-amine;N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[(4-methyl-2-pyrazol-1-ylphenyl)methyl]propan-2-amine;N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]propan-2-amine;1-[2-[(propan-2-ylamino)methyl]phenyl]pyrazol-4-amine;N-[(2-pyrazol-1-ylphenyl)methyl]propan-2-amine;N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine;N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine
CID 165053907
2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(2,2-difluoropropyl)-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(1-fluoroethyl)-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one
CID 167635159
3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
CID 167645701
3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-dimethylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(5-methyl-1H-1,2,4-triazol-2-ium-2-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-ethyl-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one)
CID 157094014

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole?
The IUPAC name of 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole (CID 159925680) is 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole.
What is the SMILES notation for 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole?
The canonical SMILES for 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole is C=C(NC)c1cccc(C(C)C)c1F.CC(C)(C)c1cccc(C(=O)N2CC(F)(F)C2)c1.Cc1c(-c2cc[nH]c2)cccc1C(C)C.Cc1c(-c2ccccc2)cccc1C(C)C.Cc1c(-c2ccccn2)cccc1C(C)C.Cc1c(-c2cccnc2)cccc1C(C)C.Cc1c(-c2ccn(C)c2)cccc1C(C)C.Cc1c(-c2ccn(C)n2)cccc1C(C)C.Cc1c(-c2ccn[nH]2)cccc1C(C)C.Cc1c(-c2ccnnc2)cccc1C(C)C.Cc1c(-c2cn(C)cn2)cccc1C(C)C.Cc1c(-c2cncn2C)cccc1C(C)C.Cc1c(-c2cnco2)cccc1C(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.[H]/N=N/N(C=C)c1cccc(C(C)(C)C)c1C.
What is the InChIKey of 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole?
The InChIKey is NYZDWFISSAJBHO-OHODKMGOSA-N. The full InChI is InChI=1S/C16H18.C15H19N.2C15H17N.C14H17F2NO.4C14H18N2.C14H16N2.C14H17N.C13H17N3.C13H19N3.C13H16N2.C13H15NO.C12H16FN/c1-12(2)15-10-7-11-16(13(15)3)14-8-5-4-6-9-14;1-11(2)14-6-5-7-15(12(14)3)13-8-9-16(4)10-13;1-11(2)14-7-4-8-15(12(14)3)13-6-5-9-16-10-13;1-11(2)13-7-6-8-14(12(13)3)15-9-4-5-10-16-15;1-13(2,3)11-6-4-5-10(7-11)12(18)17-8-14(15,16)9-17;1-11-12(14(2,3)4)7-5-8-13(11)16-10-6-9-15-16;1-10(2)12-6-5-7-13(11(12)3)14-8-16(4)9-15-14;1-10(2)12-6-5-7-13(11(12)3)14-8-15-9-16(14)4;1-10(2)12-6-5-7-13(11(12)3)14-8-9-16(4)15-14;1-10(2)13-5-4-6-14(11(13)3)12-7-8-15-16-9-12;1-10(2)13-5-4-6-14(11(13)3)12-7-8-15-9-12;1-10-11(13(2,3)4)6-5-7-12(10)16-9-8-14-15-16;1-6-16(15-14)12-9-7-8-11(10(12)2)13(3,4)5;1-9(2)11-5-4-6-12(10(11)3)13-7-8-14-15-13;1-9(2)11-5-4-6-12(10(11)3)13-7-14-8-15-13;1-8(2)10-6-5-7-11(12(10)13)9(3)14-4/h4-12H,1-3H3;5-11H,1-4H3;2*4-11H,1-3H3;4-7H,8-9H2,1-3H3;4*5-10H,1-4H3;4-10H,1-3H3;4-10,15H,1-3H3;5-9H,1-4H3;6-9,14H,1H2,2-5H3;4-9H,1-3H3,(H,14,15);4-9H,1-3H3;5-8,14H,3H2,1-2,4H3/b;;;;;;;;;;;;15-14+;;;.
What are the key properties of 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole?
3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole has a molecular weight of 3395.83 g/mol, XLogP of 59.55, 31 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(2-fluoro-3-propan-2-ylphenyl)-N-methylethenamine;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrrole;2-methyl-1-phenyl-3-propan-2-ylbenzene;5-(2-methyl-3-propan-2-ylphenyl)-1,3-oxazole;5-(2-methyl-3-propan-2-ylphenyl)-1H-pyrazole;4-(2-methyl-3-propan-2-ylphenyl)pyridazine;2-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)pyridine;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole is sourced from PubChem (CID 159925680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).