4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole

C157H249F3N18O13 — CID 157293522

IUPAC4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole
SMILESCOc1cc(C(=O)CC2CCN(C(C)C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C3COC3)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cc1nn(C(C)C)cc1C(C)(C)C.Cc1nn(C)cc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C22H35N3O2.C21H30FNO3.C21H32FNO2.C21H32N2O3.C19H28FNO2.C16H26N2O.C11H20N2.2C9H16N2.C8H14N2/c1-22(2,3)19-7-6-17(16-20(19)27-5)21(26)25-10-8-18(9-11-25)24-14-12-23(4)13-15-24;1-21(2,3)17-11-18(22)16(10-20(17)25-4)19(24)9-14-5-7-23(8-6-14)15-12-26-13-15;1-14(2)23-9-7-15(8-10-23)11-19(24)16-12-20(25-6)17(13-18(16)22)21(3,4)5;1-21(2,3)18-6-5-16(15-19(18)25-4)20(24)23-9-7-17(8-10-23)22-11-13-26-14-12-22;1-19(2,3)15-12-16(20)14(11-18(15)23-5)17(22)10-13-6-8-21(4)9-7-13;1-16(2,3)14-7-6-13(12-15(14)19-5)18-10-8-17(4)9-11-18;1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-7-8(9(2,3)4)6-11(5)10-7;1-7-8(9(2,3)4)6-10-11(7)5;1-8(2,3)7-5-9-10(4)6-7/h6-7,16,18H,8-15H2,1-5H3;10-11,14-15H,5-9,12-13H2,1-4H3;12-15H,7-11H2,1-6H3;5-6,15,17H,7-14H2,1-4H3;11-13H,6-10H2,1-5H3;6-7,12H,8-11H2,1-5H3;7-8H,1-6H3;2*6H,1-5H3;5-6H,1-4H3
InChIKeyBBBPXLKBHSMECS-UHFFFAOYSA-N
MW2653.83 g/mol
LogP30.05
Rot. Bonds23

About 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole

4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole (PubChem CID 157293522) has the molecular formula C157H249F3N18O13 and a molecular weight of 2653.83 g/mol. Its IUPAC name is 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole.

Molecular Properties

Compound Name4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole
PubChem CID157293522
Molecular FormulaC157H249F3N18O13
Molecular Weight2653.83 g/mol
Exact Mass2651.93
IUPAC Name4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole
SMILESCOc1cc(C(=O)CC2CCN(C(C)C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C3COC3)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cc1nn(C(C)C)cc1C(C)(C)C.Cc1nn(C)cc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C22H35N3O2.C21H30FNO3.C21H32FNO2.C21H32N2O3.C19H28FNO2.C16H26N2O.C11H20N2.2C9H16N2.C8H14N2/c1-22(2,3)19-7-6-17(16-20(19)27-5)21(26)25-10-8-18(9-11-25)24-14-12-23(4)13-15-24;1-21(2,3)17-11-18(22)16(10-20(17)25-4)19(24)9-14-5-7-23(8-6-14)15-12-26-13-15;1-14(2)23-9-7-15(8-10-23)11-19(24)16-12-20(25-6)17(13-18(16)22)21(3,4)5;1-21(2,3)18-6-5-16(15-19(18)25-4)20(24)23-9-7-17(8-10-23)22-11-13-26-14-12-22;1-19(2,3)15-12-16(20)14(11-18(15)23-5)17(22)10-13-6-8-21(4)9-7-13;1-16(2,3)14-7-6-13(12-15(14)19-5)18-10-8-17(4)9-11-18;1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-7-8(9(2,3)4)6-11(5)10-7;1-7-8(9(2,3)4)6-10-11(7)5;1-8(2,3)7-5-9-10(4)6-7/h6-7,16,18H,8-15H2,1-5H3;10-11,14-15H,5-9,12-13H2,1-4H3;12-15H,7-11H2,1-6H3;5-6,15,17H,7-14H2,1-4H3;11-13H,6-10H2,1-5H3;6-7,12H,8-11H2,1-5H3;7-8H,1-6H3;2*6H,1-5H3;5-6H,1-4H3
InChIKeyBBBPXLKBHSMECS-UHFFFAOYSA-N
XLogP30.05
TPSA262.87 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002653.83
LogP ≤ 530.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole with MolForge

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Related Compounds

Bis(carbon dioxide);4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;4-[8-[[1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(3-methoxyphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;4-[8-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;3-phenyl-8-[[5-(trifluoromethoxy)-2-(2,3,4-trifluorophenyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 161105093
(5-Ethyl-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(2-methoxypropan-2-yl)phenyl]methanone;(5-methyl-2-pyridinyl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone;4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)-1-propan-2-ylpyridin-2-one
CID 161774212
4-[8-[[1-Butyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;tris(carbon dioxide);4-[8-[[1-cyclohexyl-3-(2,3,4-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid;8-[[5-ethoxy-4-methyl-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(3-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[[5-ethoxy-2-(2,3,4-trifluorophenyl)phenyl]methyl]-3-(3-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 157170760
5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158170858
(4R)-4-[(1R)-1-[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;1-[2-[(7-phenylquinolin-5-yl)oxymethyl]-3-pyridinyl]ethenamine
CID 158472411
4-(4-Tert-butyl-5-chloropyrazol-1-yl)-3-fluoro-1-(oxetan-3-yl)piperidine;4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-5-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole;2-(4-tert-butyl-3-methylpyrazol-1-yl)-2-methylpropanenitrile
CID 159008692
(6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4,5-dimethyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1S)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 160335315
4-Tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methoxyphenyl)morpholine;1-(4-tert-butyl-3-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole
CID 162132612
(3S,4S)-4-(5-chloro-4-methylpyrazol-1-yl)-3-fluoro-1-propan-2-ylpiperidine;bis(3,4-dimethyl-1-propan-2-ylpyrazole);(3S,4S)-4-(4,5-dimethylpyrazol-1-yl)-3-fluoro-1-propan-2-ylpiperidine;methane;(3-methoxy-4-methylphenyl)-[4-(1-propan-2-ylazetidin-3-yl)piperazin-1-yl]methanone;(3-methoxy-4-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(3-methoxy-4-methylphenyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone;(3-methoxy-4-methylphenyl)-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methanone
CID 163595653
4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-tert-butyl-2-fluoro-5-methoxy-N-[1-(oxetan-3-yl)piperidin-4-yl]benzamide;4-tert-butyl-2-fluoro-5-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-1-methylpyrazole;molecular hydrogen
CID 165028925
N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
CID 167585850
(4-tert-butyl-2-fluoro-5-methoxyphenyl)-morpholin-4-ylmethanone;2-(4-tert-butyl-3-fluoropyrazol-1-yl)-2-methylpropanenitrile;2-(4-tert-butyl-3-methoxypyrazol-1-yl)-2-methylpropanenitrile;2-(4-tert-butyl-3-methylpyrazol-1-yl)-2-methylpropanenitrile;(2R,6S)-4-(4-tert-butylphenyl)-2,6-dimethylmorpholine;4-(4-tert-butylphenyl)-2,6-dimethylmorpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;4-tert-butyl-1-propan-2-ylpyrazole;1-(6-tert-butyl-3-pyridinyl)-4-ethylpiperazine;1-[(6-tert-butyl-3-pyridinyl)methyl]-4-ethylpiperazine
CID 168380914

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole?
The IUPAC name of 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole (CID 157293522) is 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole.
What is the SMILES notation for 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole?
The canonical SMILES for 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole is COc1cc(C(=O)CC2CCN(C(C)C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)CC2CCN(C3COC3)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1C(C)(C)C.COc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cc1nn(C(C)C)cc1C(C)(C)C.Cc1nn(C)cc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole?
The InChIKey is BBBPXLKBHSMECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2.C21H30FNO3.C21H32FNO2.C21H32N2O3.C19H28FNO2.C16H26N2O.C11H20N2.2C9H16N2.C8H14N2/c1-22(2,3)19-7-6-17(16-20(19)27-5)21(26)25-10-8-18(9-11-25)24-14-12-23(4)13-15-24;1-21(2,3)17-11-18(22)16(10-20(17)25-4)19(24)9-14-5-7-23(8-6-14)15-12-26-13-15;1-14(2)23-9-7-15(8-10-23)11-19(24)16-12-20(25-6)17(13-18(16)22)21(3,4)5;1-21(2,3)18-6-5-16(15-19(18)25-4)20(24)23-9-7-17(8-10-23)22-11-13-26-14-12-22;1-19(2,3)15-12-16(20)14(11-18(15)23-5)17(22)10-13-6-8-21(4)9-7-13;1-16(2,3)14-7-6-13(12-15(14)19-5)18-10-8-17(4)9-11-18;1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-7-8(9(2,3)4)6-11(5)10-7;1-7-8(9(2,3)4)6-10-11(7)5;1-8(2,3)7-5-9-10(4)6-7/h6-7,16,18H,8-15H2,1-5H3;10-11,14-15H,5-9,12-13H2,1-4H3;12-15H,7-11H2,1-6H3;5-6,15,17H,7-14H2,1-4H3;11-13H,6-10H2,1-5H3;6-7,12H,8-11H2,1-5H3;7-8H,1-6H3;2*6H,1-5H3;5-6H,1-4H3.
What are the key properties of 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole?
4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole has a molecular weight of 2653.83 g/mol, XLogP of 30.05, 23 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-1,5-dimethylpyrazole;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-[1-(oxetan-3-yl)piperidin-4-yl]ethanone;1-(4-tert-butyl-2-fluoro-5-methoxyphenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone;1-(4-tert-butyl-3-methoxyphenyl)-4-methylpiperazine;(4-tert-butyl-3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone;(4-tert-butyl-3-methoxyphenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;4-tert-butyl-1-methylpyrazole is sourced from PubChem (CID 157293522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).