2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C109H121F6N29O8 — CID 158104083

IUPAC2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2cc(OC)ccn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2cc(OC)ncn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2ncc(F)cn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H26FN5O2.2C22H25FN6O2.C21H22F2N6O.C21H23FN6O/c1-3-19-14-21(17-4-6-18(24)7-5-17)26-29(19)16-23(30)28-12-10-27(11-13-28)22-15-20(31-2)8-9-25-22;1-3-18-12-20(16-4-6-17(23)7-5-16)26-29(18)15-21(30)27-8-10-28(11-9-27)22-24-13-19(31-2)14-25-22;1-3-18-12-19(16-4-6-17(23)7-5-16)26-29(18)14-22(30)28-10-8-27(9-11-28)20-13-21(31-2)25-15-24-20;1-2-18-11-19(15-3-5-16(22)6-4-15)26-29(18)14-20(30)27-7-9-28(10-8-27)21-24-12-17(23)13-25-21;1-2-18-14-19(16-4-6-17(22)7-5-16)25-28(18)15-20(29)26-10-12-27(13-11-26)21-23-8-3-9-24-21/h4-9,14-15H,3,10-13,16H2,1-2H3;4-7,12-14H,3,8-11,15H2,1-2H3;4-7,12-13,15H,3,8-11,14H2,1-2H3;3-6,11-13H,2,7-10,14H2,1H3;3-9,14H,2,10-13,15H2,1H3
InChIKeyFPPUEJXHYQVNEV-UHFFFAOYSA-N
MW2079.35 g/mol
LogP12.72
Rot. Bonds28

About 2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 158104083) has the molecular formula C109H121F6N29O8 and a molecular weight of 2079.35 g/mol. Its IUPAC name is 2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID158104083
Molecular FormulaC109H121F6N29O8
Molecular Weight2079.35 g/mol
Exact Mass2077.99
IUPAC Name2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2cc(OC)ccn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2cc(OC)ncn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2ncc(F)cn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H26FN5O2.2C22H25FN6O2.C21H22F2N6O.C21H23FN6O/c1-3-19-14-21(17-4-6-18(24)7-5-17)26-29(19)16-23(30)28-12-10-27(11-13-28)22-15-20(31-2)8-9-25-22;1-3-18-12-20(16-4-6-17(23)7-5-16)26-29(18)15-21(30)27-8-10-28(11-9-27)22-24-13-19(31-2)14-25-22;1-3-18-12-19(16-4-6-17(23)7-5-16)26-29(18)14-22(30)28-10-8-27(9-11-28)20-13-21(31-2)25-15-24-20;1-2-18-11-19(15-3-5-16(22)6-4-15)26-29(18)14-20(30)27-7-9-28(10-8-27)21-24-12-17(23)13-25-21;1-2-18-14-19(16-4-6-17(22)7-5-16)25-28(18)15-20(29)26-10-12-27(13-11-26)21-23-8-3-9-24-21/h4-9,14-15H,3,10-13,16H2,1-2H3;4-7,12-14H,3,8-11,15H2,1-2H3;4-7,12-13,15H,3,8-11,14H2,1-2H3;3-6,11-13H,2,7-10,14H2,1H3;3-9,14H,2,10-13,15H2,1H3
InChIKeyFPPUEJXHYQVNEV-UHFFFAOYSA-N
XLogP12.72
TPSA350.55 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002079.35
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
CID 157184423
2-(3,5-Diphenylpyrazol-1-yl)-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 158156416
7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158437677
7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;methane;(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tris((6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159481976
7-[[6-(1,4-dimethylimidazol-2-yl)-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-[4-methyl-1-(oxetan-3-yl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(3-fluoro-2-propan-2-ylphenyl)-7-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;7-[[4-(3-methoxypyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160253218
7-[[4-[3-(difluoromethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-fluoro-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167635501
2-[5-Ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3,5-dimethylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 157313777
2-[3-[4-(Difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-[4-(difluoromethoxy)phenyl]-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-methoxy-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 157326077
2-[3-(3,4-Dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3,4-dimethylphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 157348645
2-[3-(4-Fluoro-3-methoxyphenyl)-5-phenylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methoxyphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methoxyphenyl)-5-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-(4-fluoro-3-methoxyphenyl)-3-phenylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 157355019
2-[3-(3-Chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(3-chlorophenyl)-5-ethylpyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methoxypropyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 157369644
2-[5-Butan-2-yl-3-(4-fluoro-3-methylphenyl)-1,2,4-triazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-butan-2-yl-3-(4-fluoro-3-methylphenyl)-1,2,4-triazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-butan-2-yl-3-(4-fluoro-3-methylphenyl)-1,2,4-triazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-butan-2-yl-3-(4-fluoro-3-methylphenyl)-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 157398326

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 158104083) is 2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2cc(OC)ccn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2cc(OC)ncn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2ncc(F)cn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is FPPUEJXHYQVNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2.2C22H25FN6O2.C21H22F2N6O.C21H23FN6O/c1-3-19-14-21(17-4-6-18(24)7-5-17)26-29(19)16-23(30)28-12-10-27(11-13-28)22-15-20(31-2)8-9-25-22;1-3-18-12-20(16-4-6-17(23)7-5-16)26-29(18)15-21(30)27-8-10-28(11-9-27)22-24-13-19(31-2)14-25-22;1-3-18-12-19(16-4-6-17(23)7-5-16)26-29(18)14-22(30)28-10-8-27(9-11-28)20-13-21(31-2)25-15-24-20;1-2-18-11-19(15-3-5-16(22)6-4-15)26-29(18)14-20(30)27-7-9-28(10-8-27)21-24-12-17(23)13-25-21;1-2-18-14-19(16-4-6-17(22)7-5-16)25-28(18)15-20(29)26-10-12-27(13-11-26)21-23-8-3-9-24-21/h4-9,14-15H,3,10-13,16H2,1-2H3;4-7,12-14H,3,8-11,15H2,1-2H3;4-7,12-13,15H,3,8-11,14H2,1-2H3;3-6,11-13H,2,7-10,14H2,1H3;3-9,14H,2,10-13,15H2,1H3.
What are the key properties of 2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 2079.35 g/mol, XLogP of 12.72, 28 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 158104083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).