1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene

C170H224F7N21O2 — CID 158695809

IUPAC1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene
SMILESCC(C)(C)c1ccc(-c2cnn(CCO)c2)cc1.CC(C)(C)c1ccc(-c2cnn3c2CCCC3)cc1.CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)NC(=O)c1cccc(C(C)(C)C)c1.CCCCn1cc(-c2ccc(C(C)(C)C)cc2)cn1.CN(C)CCn1cc(-c2ccc(C(C)(C)C)cc2)cn1.Cc1cccc(C(C)(C)C)c1.Cn1cc(-c2cc(C(C)(C)C)ccc2F)cn1.Cn1cc(-c2cc(F)cc(C(C)(C)C)c2)cn1.Cn1cc(-c2ccc(C(C)(C)C)c(F)c2)cn1.Cn1cc(-c2ccc(C(C)(C)C)cc2F)cn1
InChIInChI=1S/C17H25N3.C17H22N2.C17H24N2.C15H20N2O.4C14H17FN2.C14H21NO.C12H15N3.C11H13F3.C11H16/c1-17(2,3)16-8-6-14(7-9-16)15-12-18-20(13-15)11-10-19(4)5;1-17(2,3)14-9-7-13(8-10-14)15-12-18-19-11-5-4-6-16(15)19;1-5-6-11-19-13-15(12-18-19)14-7-9-16(10-8-14)17(2,3)4;1-15(2,3)14-6-4-12(5-7-14)13-10-16-17(11-13)8-9-18;1-14(2,3)12-5-10(6-13(15)7-12)11-8-16-17(4)9-11;1-14(2,3)11-5-6-13(15)12(7-11)10-8-16-17(4)9-10;1-14(2,3)11-5-6-12(13(15)7-11)10-8-16-17(4)9-10;1-14(2,3)12-6-5-10(7-13(12)15)11-8-16-17(4)9-11;1-10(2)15-13(16)11-7-6-8-12(9-11)14(3,4)5;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-9-6-5-7-10(8-9)11(2,3)4/h6-9,12-13H,10-11H2,1-5H3;7-10,12H,4-6,11H2,1-3H3;7-10,12-13H,5-6,11H2,1-4H3;4-7,10-11,18H,8-9H2,1-3H3;4*5-9H,1-4H3;6-10H,1-5H3,(H,15,16);4-9H,1-3H3;4-7H,1-3H3;5-8H,1-4H3
InChIKeyIGXUGBGDZPSCRY-UHFFFAOYSA-N
MW2726.79 g/mol
LogP42.16
Rot. Bonds19

About 1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene

1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene (PubChem CID 158695809) has the molecular formula C170H224F7N21O2 and a molecular weight of 2726.79 g/mol. Its IUPAC name is 1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene
PubChem CID158695809
Molecular FormulaC170H224F7N21O2
Molecular Weight2726.79 g/mol
Exact Mass2724.80
IUPAC Name1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene
SMILESCC(C)(C)c1ccc(-c2cnn(CCO)c2)cc1.CC(C)(C)c1ccc(-c2cnn3c2CCCC3)cc1.CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)NC(=O)c1cccc(C(C)(C)C)c1.CCCCn1cc(-c2ccc(C(C)(C)C)cc2)cn1.CN(C)CCn1cc(-c2ccc(C(C)(C)C)cc2)cn1.Cc1cccc(C(C)(C)C)c1.Cn1cc(-c2cc(C(C)(C)C)ccc2F)cn1.Cn1cc(-c2cc(F)cc(C(C)(C)C)c2)cn1.Cn1cc(-c2ccc(C(C)(C)C)c(F)c2)cn1.Cn1cc(-c2ccc(C(C)(C)C)cc2F)cn1
InChIInChI=1S/C17H25N3.C17H22N2.C17H24N2.C15H20N2O.4C14H17FN2.C14H21NO.C12H15N3.C11H13F3.C11H16/c1-17(2,3)16-8-6-14(7-9-16)15-12-18-20(13-15)11-10-19(4)5;1-17(2,3)14-9-7-13(8-10-14)15-12-18-19-11-5-4-6-16(15)19;1-5-6-11-19-13-15(12-18-19)14-7-9-16(10-8-14)17(2,3)4;1-15(2,3)14-6-4-12(5-7-14)13-10-16-17(11-13)8-9-18;1-14(2,3)12-5-10(6-13(15)7-12)11-8-16-17(4)9-11;1-14(2,3)11-5-6-13(15)12(7-11)10-8-16-17(4)9-10;1-14(2,3)11-5-6-12(13(15)7-11)10-8-16-17(4)9-10;1-14(2,3)12-6-5-10(7-13(12)15)11-8-16-17(4)9-11;1-10(2)15-13(16)11-7-6-8-12(9-11)14(3,4)5;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-9-6-5-7-10(8-9)11(2,3)4/h6-9,12-13H,10-11H2,1-5H3;7-10,12H,4-6,11H2,1-3H3;7-10,12-13H,5-6,11H2,1-4H3;4-7,10-11,18H,8-9H2,1-3H3;4*5-9H,1-4H3;6-10H,1-5H3,(H,15,16);4-9H,1-3H3;4-7H,1-3H3;5-8H,1-4H3
InChIKeyIGXUGBGDZPSCRY-UHFFFAOYSA-N
XLogP42.16
TPSA225.84 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002726.79
LogP ≤ 542.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene with MolForge

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Related Compounds

N-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 88996442
2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(3-oxo-1,2-dihydroisoindol-5-yl)-2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethyl]acetamide
CID 90281290
2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[5-(3-oxo-1,2-dihydroisoindol-5-yl)-2-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethyl]acetamide
CID 90281295
1-[2-[4-[[5-[[4-(1-Benzoyl-7-cyano-2,3-dihydroindol-5-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]methyl]-2-fluorophenyl]acetyl]-5-[2-[(1-propylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 145344027
N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[(1-methylpiperidin-4-yl)methyl]-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157192480
(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;5-[4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one;methane
CID 157365872
5-[3,3-dimethyl-1-(1-methylpyrazol-3-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide
CID 157505413
N-cyclopropyl-4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorobenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-difluoro-N-methylbenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-ethyl-2-fluorobenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N,N-dimethylbenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-propan-2-ylbenzamide
CID 157656021
N-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 157779105
2-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[2-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 158092886
(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(oxolan-3-ylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
CID 158575876
5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;3-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-fluoro-6-methyl-N-(4-methylphenyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 158599705

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene (CID 158695809) is 1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene is CC(C)(C)c1ccc(-c2cnn(CCO)c2)cc1.CC(C)(C)c1ccc(-c2cnn3c2CCCC3)cc1.CC(C)(C)c1ccc(-n2cncn2)cc1.CC(C)(C)c1cccc(C(F)(F)F)c1.CC(C)NC(=O)c1cccc(C(C)(C)C)c1.CCCCn1cc(-c2ccc(C(C)(C)C)cc2)cn1.CN(C)CCn1cc(-c2ccc(C(C)(C)C)cc2)cn1.Cc1cccc(C(C)(C)C)c1.Cn1cc(-c2cc(C(C)(C)C)ccc2F)cn1.Cn1cc(-c2cc(F)cc(C(C)(C)C)c2)cn1.Cn1cc(-c2ccc(C(C)(C)C)c(F)c2)cn1.Cn1cc(-c2ccc(C(C)(C)C)cc2F)cn1.
What is the InChIKey of 1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene?
The InChIKey is IGXUGBGDZPSCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3.C17H22N2.C17H24N2.C15H20N2O.4C14H17FN2.C14H21NO.C12H15N3.C11H13F3.C11H16/c1-17(2,3)16-8-6-14(7-9-16)15-12-18-20(13-15)11-10-19(4)5;1-17(2,3)14-9-7-13(8-10-14)15-12-18-19-11-5-4-6-16(15)19;1-5-6-11-19-13-15(12-18-19)14-7-9-16(10-8-14)17(2,3)4;1-15(2,3)14-6-4-12(5-7-14)13-10-16-17(11-13)8-9-18;1-14(2,3)12-5-10(6-13(15)7-12)11-8-16-17(4)9-11;1-14(2,3)11-5-6-13(15)12(7-11)10-8-16-17(4)9-10;1-14(2,3)11-5-6-12(13(15)7-11)10-8-16-17(4)9-10;1-14(2,3)12-6-5-10(7-13(12)15)11-8-16-17(4)9-11;1-10(2)15-13(16)11-7-6-8-12(9-11)14(3,4)5;1-12(2,3)10-4-6-11(7-5-10)15-9-13-8-14-15;1-10(2,3)8-5-4-6-9(7-8)11(12,13)14;1-9-6-5-7-10(8-9)11(2,3)4/h6-9,12-13H,10-11H2,1-5H3;7-10,12H,4-6,11H2,1-3H3;7-10,12-13H,5-6,11H2,1-4H3;4-7,10-11,18H,8-9H2,1-3H3;4*5-9H,1-4H3;6-10H,1-5H3,(H,15,16);4-9H,1-3H3;4-7H,1-3H3;5-8H,1-4H3.
What are the key properties of 1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene?
1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene has a molecular weight of 2726.79 g/mol, XLogP of 42.16, 19 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-tert-butylphenyl)pyrazole;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;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]-N,N-dimethylethanamine;2-[4-(4-tert-butylphenyl)pyrazol-1-yl]ethanol;3-(4-tert-butylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 158695809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).