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

C195H311ClF4N26O14 — CID 159008692

IUPAC4-(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
SMILESCC(C)(C)c1cnn(C2CCN(C3COC3)CC2F)c1Cl.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.Cc1c(C(C)(C)C)cnn1C(C)C.Cc1nn(C(C)(C)C#N)cc1C(C)(C)C.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.C15H23ClFN3O.C12H19N3.2C11H20N2.2C9H16N2.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;1-15(2,3)11-6-18-20(14(11)16)13-4-5-19(7-12(13)17)10-8-21-9-10;1-9-10(11(2,3)4)7-15(14-9)12(5,6)8-13;1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-8(2)13-9(3)10(7-12-13)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;6,10,12-13H,4-5,7-9H2,1-3H3;7H,1-6H3;2*7-8H,1-6H3;2*6H,1-5H3;5-6H,1-4H3
InChIKeyJSFWVHVLEAWAOH-UHFFFAOYSA-N
MW3355.25 g/mol
LogP38.68
Rot. Bonds27

About 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

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 (PubChem CID 159008692) has the molecular formula C195H311ClF4N26O14 and a molecular weight of 3355.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID159008692
Molecular FormulaC195H311ClF4N26O14
Molecular Weight3355.25 g/mol
Exact Mass3352.40
IUPAC Name4-(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
SMILESCC(C)(C)c1cnn(C2CCN(C3COC3)CC2F)c1Cl.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.Cc1c(C(C)(C)C)cnn1C(C)C.Cc1nn(C(C)(C)C#N)cc1C(C)(C)C.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.C15H23ClFN3O.C12H19N3.2C11H20N2.2C9H16N2.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;1-15(2,3)11-6-18-20(14(11)16)13-4-5-19(7-12(13)17)10-8-21-9-10;1-9-10(11(2,3)4)7-15(14-9)12(5,6)8-13;1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-8(2)13-9(3)10(7-12-13)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;6,10,12-13H,4-5,7-9H2,1-3H3;7H,1-6H3;2*7-8H,1-6H3;2*6H,1-5H3;5-6H,1-4H3
InChIKeyJSFWVHVLEAWAOH-UHFFFAOYSA-N
XLogP38.68
TPSA352.59 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds27
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003355.25
LogP ≤ 538.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
(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
(4-Tert-butyl-2-fluoro-5-methoxyphenyl)-morpholin-4-ylmethanone;4-tert-butyl-3-fluoro-1-propan-2-ylpyrazole;2-(4-tert-butyl-3-fluoropyrazol-1-yl)-2-methylpropanenitrile;4-tert-butyl-3-methoxy-1-propan-2-ylpyrazole;2-(4-tert-butyl-3-methoxypyrazol-1-yl)-2-methylpropanenitrile;4-tert-butyl-3-methyl-1-propan-2-ylpyrazole;3-(4-tert-butyl-3-methylpyrazol-1-yl)cyclobutane-1-carbonitrile;3-(4-tert-butyl-5-methylpyrazol-1-yl)cyclobutane-1-carbonitrile;2-(4-tert-butyl-3-methylpyrazol-1-yl)-2-methylpropanenitrile;4-(4-tert-butylphenyl)-2,6-dimethylmorpholine;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 168428889

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cnn(C2CCN(C3COC3)CC2F)c1Cl.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.Cc1c(C(C)(C)C)cnn1C(C)C.Cc1nn(C(C)(C)C#N)cc1C(C)(C)C.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-(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?
The InChIKey is JSFWVHVLEAWAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2.C21H30FNO3.C21H32FNO2.C21H32N2O3.C19H28FNO2.C16H26N2O.C15H23ClFN3O.C12H19N3.2C11H20N2.2C9H16N2.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;1-15(2,3)11-6-18-20(14(11)16)13-4-5-19(7-12(13)17)10-8-21-9-10;1-9-10(11(2,3)4)7-15(14-9)12(5,6)8-13;1-8(2)13-7-10(9(3)12-13)11(4,5)6;1-8(2)13-9(3)10(7-12-13)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;6,10,12-13H,4-5,7-9H2,1-3H3;7H,1-6H3;2*7-8H,1-6H3;2*6H,1-5H3;5-6H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 3355.25 g/mol, XLogP of 38.68, 27 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159008692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).