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

C170H207F2N18O2+ — CID 158599756

IUPAC1-(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
SMILESCC(C)(C)c1cccc([N+](=O)N2CC(F)(F)C2)c1.Cc1c(-c2cc[nH]c2)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(-c2ccncc2)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
InChIInChI=1S/C15H19N.3C15H17N.4C14H18N2.C14H16N2.C14H17N.C13H17F2N2O.C13H15NO/c1-11(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;1-11(2)14-5-4-6-15(12(14)3)13-7-9-16-10-8-13;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;1-12(2,3)10-5-4-6-11(7-10)17(18)16-8-13(14,15)9-16;1-9(2)11-5-4-6-12(10(11)3)13-7-14-8-15-13/h5-11H,1-4H3;3*4-11H,1-3H3;4*5-10H,1-4H3;4-10H,1-3H3;4-10,15H,1-3H3;4-7H,8-9H2,1-3H3;4-9H,1-3H3/q;;;;;;;;;;+1;
InChIKeyRNKXPQQVOHTPHK-UHFFFAOYSA-N
MW2572.65 g/mol
LogP45.42
Rot. Bonds23

About 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

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 (PubChem CID 158599756) has the molecular formula C170H207F2N18O2+ and a molecular weight of 2572.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158599756
Molecular FormulaC170H207F2N18O2+
Molecular Weight2572.65 g/mol
Exact Mass2570.66
IUPAC Name1-(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
SMILESCC(C)(C)c1cccc([N+](=O)N2CC(F)(F)C2)c1.Cc1c(-c2cc[nH]c2)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(-c2ccncc2)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
InChIInChI=1S/C15H19N.3C15H17N.4C14H18N2.C14H16N2.C14H17N.C13H17F2N2O.C13H15NO/c1-11(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;1-11(2)14-5-4-6-15(12(14)3)13-7-9-16-10-8-13;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;1-12(2,3)10-5-4-6-11(7-10)17(18)16-8-13(14,15)9-16;1-9(2)11-5-4-6-12(10(11)3)13-7-14-8-15-13/h5-11H,1-4H3;3*4-11H,1-3H3;4*5-10H,1-4H3;4-10H,1-3H3;4-10,15H,1-3H3;4-7H,8-9H2,1-3H3;4-9H,1-3H3/q;;;;;;;;;;+1;
InChIKeyRNKXPQQVOHTPHK-UHFFFAOYSA-N
XLogP45.42
TPSA205.80 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002572.65
LogP ≤ 545.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
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
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-(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
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
2-methyl-1-[4-[1-methyl-8-(1-methylpyrazol-4-yl)-6-[4-[7-(1,3-oxazol-5-yl)-2-(trifluoromethyl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]piperidin-1-yl]-3H-pyrrolo[2,3-c]isoquinolin-2-yl]piperidin-1-yl]propan-2-ol
CID 168926688
3-Cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-oxazol-2-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-5,7-dimethyl-1-[3-(3-methylpyrazol-1-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-5,7-dimethyl-1-[3-(3-methyl-1,2,4-triazol-1-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(3,4-dimethylpyrazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-piperidin-4-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 157521346
6-tert-butyl-1-benzofuran;3-tert-butyl-1,2-benzoxazole;4-tert-butyl-1,2-benzoxazole;5-tert-butyl-1,3-benzoxazole;1-tert-butylimidazo[1,5-a]pyridine;6-tert-butyl-1H-indole;7-tert-butylindolizine;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyrazolo[1,5-a]pyridine;1-(2,2-dimethylpropyl)indazole
CID 158101082
benzyl N-[[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methyl]carbamate;N'-[1-(4-tert-butylphenyl)ethenyl]ethane-1,2-diamine;ethane;2-(3-methylimidazol-4-yl)-6-(1-methylpyrrol-2-yl)-4-propan-2-ylpyridine;1-(3-propan-2-ylphenyl)nonan-3-one;[5-(3-propan-2-ylphenyl)-1,3-oxazol-2-yl]methanamine;N-[[1-(3-propan-2-ylphenyl)triazol-4-yl]methyl]hexan-1-amine
CID 158269773

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cccc([N+](=O)N2CC(F)(F)C2)c1.Cc1c(-c2cc[nH]c2)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(-c2ccncc2)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.
What is the InChIKey of 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?
The InChIKey is RNKXPQQVOHTPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N.3C15H17N.4C14H18N2.C14H16N2.C14H17N.C13H17F2N2O.C13H15NO/c1-11(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;1-11(2)14-5-4-6-15(12(14)3)13-7-9-16-10-8-13;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;1-12(2,3)10-5-4-6-11(7-10)17(18)16-8-13(14,15)9-16;1-9(2)11-5-4-6-12(10(11)3)13-7-14-8-15-13/h5-11H,1-4H3;3*4-11H,1-3H3;4*5-10H,1-4H3;4-10H,1-3H3;4-10,15H,1-3H3;4-7H,8-9H2,1-3H3;4-9H,1-3H3/q;;;;;;;;;;+1;.
What are the key properties of 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?
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 has a molecular weight of 2572.65 g/mol, XLogP of 45.42, 23 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158599756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).