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

C134H216F3N17O13 — CID 165028925

IUPAC4-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
SMILESCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1C(C)(C)C.COc1cc(C(=O)NC2CCN(C(C)C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)NC2CCN(C3COC3)CC2)c(F)cc1C(C)(C)C.COc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cn1cc(C(C)(C)C)cn1.[H][H].[H][H].[H][H]
InChIInChI=1S/C22H35N3O2.C21H32N2O3.C20H29FN2O3.C20H31FN2O2.C18H27FN2O2.C16H26N2O.C9H16N2.C8H14N2.3H2/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)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;1-20(2,3)16-10-17(21)15(9-18(16)25-4)19(24)22-13-5-7-23(8-6-13)14-11-26-12-14;1-13(2)23-9-7-14(8-10-23)22-19(24)15-11-18(25-6)16(12-17(15)21)20(3,4)5;1-18(2,3)14-11-15(19)13(10-16(14)23-5)17(22)20-12-6-8-21(4)9-7-12;1-16(2,3)14-7-6-13(12-15(14)19-5)18-10-8-17(4)9-11-18;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;5-6,15,17H,7-14H2,1-4H3;9-10,13-14H,5-8,11-12H2,1-4H3,(H,22,24);11-14H,7-10H2,1-6H3,(H,22,24);10-12H,6-9H2,1-5H3,(H,20,22);6-7,12H,8-11H2,1-5H3;6H,1-5H3;5-6H,1-4H3;3*1H
InChIKeyMIGYCNBMJWLZKU-UHFFFAOYSA-N
MW2330.30 g/mol
LogP22.42
Rot. Bonds19

About 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

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 (PubChem CID 165028925) has the molecular formula C134H216F3N17O13 and a molecular weight of 2330.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID165028925
Molecular FormulaC134H216F3N17O13
Molecular Weight2330.30 g/mol
Exact Mass2328.67
IUPAC Name4-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
SMILESCOc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1C(C)(C)C.COc1cc(C(=O)NC2CCN(C(C)C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)NC2CCN(C3COC3)CC2)c(F)cc1C(C)(C)C.COc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cn1cc(C(C)(C)C)cn1.[H][H].[H][H].[H][H]
InChIInChI=1S/C22H35N3O2.C21H32N2O3.C20H29FN2O3.C20H31FN2O2.C18H27FN2O2.C16H26N2O.C9H16N2.C8H14N2.3H2/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)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;1-20(2,3)16-10-17(21)15(9-18(16)25-4)19(24)22-13-5-7-23(8-6-13)14-11-26-12-14;1-13(2)23-9-7-14(8-10-23)22-19(24)15-11-18(25-6)16(12-17(15)21)20(3,4)5;1-18(2,3)14-11-15(19)13(10-16(14)23-5)17(22)20-12-6-8-21(4)9-7-12;1-16(2,3)14-7-6-13(12-15(14)19-5)18-10-8-17(4)9-11-18;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;5-6,15,17H,7-14H2,1-4H3;9-10,13-14H,5-8,11-12H2,1-4H3,(H,22,24);11-14H,7-10H2,1-6H3,(H,22,24);10-12H,6-9H2,1-5H3,(H,20,22);6-7,12H,8-11H2,1-5H3;6H,1-5H3;5-6H,1-4H3;3*1H
InChIKeyMIGYCNBMJWLZKU-UHFFFAOYSA-N
XLogP22.42
TPSA263.32 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002330.30
LogP ≤ 522.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

4-Tert-butyl-3,5-dimethyl-1,2-oxazole;1-[2-(4-tert-butylphenoxy)ethyl]piperidine;(4-tert-butylphenyl)-(4,4-difluoropiperidin-1-yl)methanone;(4-tert-butylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)morpholine;(4-tert-butylphenyl)-morpholin-4-ylmethanone;1-(4-tert-butylphenyl)piperazine;4-tert-butyl-1-propylpyrazole;1-(3,3-difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one;1-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylpropan-1-one;ethane
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N-[(3S)-3-cyclohexyl-1-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2S,3R)-3-cyclohexyloxy-1-[2-fluoro-4-[(2R,3S)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-1-oxobutan-2-yl]-2-ethylpyrazole-3-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2,2-difluoro-2-(6-methoxy-3-pyridinyl)acetyl]amino]-2-(4-methylcyclohexyl)acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide;N-[(1S)-1-(4,4-dimethylcyclohexyl)-2-[2-fluoro-4-[(2S,3R)-4-(4-methylpiperazin-1-yl)-4-oxo-3-(propanoylamino)butan-2-yl]anilino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 167667297
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
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CID 158216243
4-Tert-butyl-1-cyclopropylpyridin-2-one;1-tert-butyl-2,3-dimethylbenzene;6-tert-butyl-1,3-dimethylpyrimidine-2,4-dione;4-(4-tert-butyl-3-fluorophenyl)morpholine;4-tert-butyl-1-(2-methoxycyclohexyl)pyrazole;4-tert-butyl-1-(2-methoxyethyl)pyridin-2-one;(4-tert-butyl-3-methoxyphenyl)-morpholin-4-ylmethanone;3-(4-tert-butyl-3-methoxyphenyl)-1,3-oxazolidin-2-one;1-(4-tert-butyl-3-methylphenyl)-4-methylpiperazine;4-(4-tert-butyl-3-methylphenyl)morpholine;3-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-methylpyridin-2-one
CID 158421625
1-(4-Tert-butyl-3-methoxyphenyl)-4-cyclopropyl-1,4lambda5-azaphosphinane 4-oxide;(4-tert-butyl-3-methoxyphenyl)-(4-cyclopropyl-4-oxo-1,4lambda5-azaphosphinan-1-yl)methanone;4-(4-tert-butyl-3-methoxyphenyl)-1,4lambda5-azaphosphinane 4-oxide;3-(4-tert-butyl-2-methylphenyl)-1-methylpyrazole;(4-tert-butylphenyl)methanol;4-(4-tert-butylphenyl)-1-methylpiperidine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone
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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
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[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-[2-(2,2-dimethylpropoxy)phenyl]methanone;N-tert-butyl-1-[2-(2,2-dimethylpropoxy)ethyl]piperidin-4-amine;N-tert-butyl-4-[4-(2,2-dimethylpropyl)phenyl]butan-1-amine;N-[2-[2-(3-tert-butylpyrazol-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine;1-(3,3-dimethylbutyl)-3-(4,4-dimethylpentoxy)benzene;N-[2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethyl]-2-methylpropan-2-amine;N-[[4-[2-(2,2-dimethylpropoxy)ethyl]phenyl]methyl]-2-methylpropan-2-amine;N-[1-[4-[(3R)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[1-[4-[(3S)-3-(2,2-dimethylpropoxy)pyrrolidin-1-yl]phenyl]ethyl]-2-methylpropan-2-amine;N-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-2-methylpropan-2-amine;N-[3-[[3-(2,2-dimethylpropyl)phenyl]methoxy]propyl]-2-methylpropan-2-amine
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N-benzyl-N,4-dimethylbenzamide;N-benzyl-4-methylbenzamide;N,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide;4-methyl-N-[[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]methyl]benzamide;4-methyl-N-[[2-[(1-methylpiperidin-3-yl)methoxy]phenyl]methyl]benzamide;4-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]benzamide;4-methyl-N-(pyridin-2-ylmethyl)benzamide;4-methyl-N-(pyridin-3-ylmethyl)benzamide;4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide;4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
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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
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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
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(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-1,5-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1C(C)(C)C.COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1C(C)(C)C.COc1cc(C(=O)NC2CCN(C(C)C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1C(C)(C)C.COc1cc(C(=O)NC2CCN(C3COC3)CC2)c(F)cc1C(C)(C)C.COc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.Cc1c(C(C)(C)C)cnn1C.Cn1cc(C(C)(C)C)cn1.[H][H].[H][H].[H][H].
What is the InChIKey of 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?
The InChIKey is MIGYCNBMJWLZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2.C21H32N2O3.C20H29FN2O3.C20H31FN2O2.C18H27FN2O2.C16H26N2O.C9H16N2.C8H14N2.3H2/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)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;1-20(2,3)16-10-17(21)15(9-18(16)25-4)19(24)22-13-5-7-23(8-6-13)14-11-26-12-14;1-13(2)23-9-7-14(8-10-23)22-19(24)15-11-18(25-6)16(12-17(15)21)20(3,4)5;1-18(2,3)14-11-15(19)13(10-16(14)23-5)17(22)20-12-6-8-21(4)9-7-12;1-16(2,3)14-7-6-13(12-15(14)19-5)18-10-8-17(4)9-11-18;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;5-6,15,17H,7-14H2,1-4H3;9-10,13-14H,5-8,11-12H2,1-4H3,(H,22,24);11-14H,7-10H2,1-6H3,(H,22,24);10-12H,6-9H2,1-5H3,(H,20,22);6-7,12H,8-11H2,1-5H3;6H,1-5H3;5-6H,1-4H3;3*1H.
What are the key properties of 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?
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 has a molecular weight of 2330.30 g/mol, XLogP of 22.42, 19 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165028925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).