2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C112H126F6N28O6 — CID 159912884

IUPAC2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ccccn2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(F)cn2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ncccn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H27FN6O2.C23H26FN5O.C22H24F2N6O.C22H25FN6O.C22H24FN5O/c1-4-18-12-21(17-5-6-20(24)16(2)11-17)27-30(18)15-22(31)28-7-9-29(10-8-28)23-25-13-19(32-3)14-26-23;1-3-19-15-21(18-7-8-20(24)17(2)14-18)26-29(19)16-23(30)28-12-10-27(11-13-28)22-6-4-5-9-25-22;1-3-18-11-20(16-4-5-19(24)15(2)10-16)27-30(18)14-21(31)28-6-8-29(9-7-28)22-25-12-17(23)13-26-22;1-3-18-14-20(17-5-6-19(23)16(2)13-17)26-29(18)15-21(30)27-9-11-28(12-10-27)22-24-7-4-8-25-22;1-2-19-15-20(17-6-8-18(23)9-7-17)25-28(19)16-22(29)27-13-11-26(12-14-27)21-5-3-4-10-24-21/h5-6,11-14H,4,7-10,15H2,1-3H3;4-9,14-15H,3,10-13,16H2,1-2H3;4-5,10-13H,3,6-9,14H2,1-2H3;4-8,13-14H,3,9-12,15H2,1-2H3;3-10,15H,2,11-14,16H2,1H3
InChIKeyNXKCXKZPFFTLBR-UHFFFAOYSA-N
MW2074.42 g/mol
LogP14.54
Rot. Bonds26

About 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 159912884) has the molecular formula C112H126F6N28O6 and a molecular weight of 2074.42 g/mol. Its IUPAC name is 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID159912884
Molecular FormulaC112H126F6N28O6
Molecular Weight2074.42 g/mol
Exact Mass2073.03
IUPAC Name2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ccccn2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(F)cn2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ncccn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H27FN6O2.C23H26FN5O.C22H24F2N6O.C22H25FN6O.C22H24FN5O/c1-4-18-12-21(17-5-6-20(24)16(2)11-17)27-30(18)15-22(31)28-7-9-29(10-8-28)23-25-13-19(32-3)14-26-23;1-3-19-15-21(18-7-8-20(24)17(2)14-18)26-29(19)16-23(30)28-12-10-27(11-13-28)22-6-4-5-9-25-22;1-3-18-11-20(16-4-5-19(24)15(2)10-16)27-30(18)14-21(31)28-6-8-29(9-7-28)22-25-12-17(23)13-26-22;1-3-18-14-20(17-5-6-19(23)16(2)13-17)26-29(18)15-21(30)27-9-11-28(12-10-27)22-24-7-4-8-25-22;1-2-19-15-20(17-6-8-18(23)9-7-17)25-28(19)16-22(29)27-13-11-26(12-14-27)21-5-3-4-10-24-21/h5-6,11-14H,4,7-10,15H2,1-3H3;4-9,14-15H,3,10-13,16H2,1-2H3;4-5,10-13H,3,6-9,14H2,1-2H3;4-8,13-14H,3,9-12,15H2,1-2H3;3-10,15H,2,11-14,16H2,1H3
InChIKeyNXKCXKZPFFTLBR-UHFFFAOYSA-N
XLogP14.54
TPSA319.20 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002074.42
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

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

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Launch Full Analysis

Related Compounds

2-[3-(4-Fluoro-3-methylphenyl)-5-phenylpyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 89592973
N-(3,3-difluorocyclobutyl)-5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[2-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]ethyl]-1,3-oxazolidin-2-one;N'-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]butane-1,4-diamine;N'-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]propane-1,3-diamine
CID 157415743
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
5-[1-(2,2-Difluoroethyl)pyrazol-4-yl]-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidine;1-morpholin-4-yl-2-[4-[2-(3-pyridin-4-ylphenyl)pyrimidin-5-yl]pyrazol-1-yl]ethanone
CID 158279096
methane;7-[[4-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1R)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158504164
Methane;7-(2-methoxyethyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;9-[[4-(4-methoxy-1-methylimidazol-2-yl)phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-morpholin-4-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(oxetan-3-yl)-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 159105547
1-[4-[6-[[3-(1,1-Difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol
CID 159291019
1-[2-(3,3-Difluoroazetidin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole;4-[4-[4-fluoro-6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine;4-(4-indazol-1-yl-2-pyridinyl)morpholine;1-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]piperazin-2-one;1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole;4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
CID 159708276
1-[4-[2-[(2,3-Difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 159760723
N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-[3-(4-ethylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 159795356
2-[5-(4,4-Difluorocyclohexyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methylcyclohexyl)-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 159837672
7-[[4-[1-(2-methoxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1-methylindazol-7-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1-methylindol-7-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 159991163

Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 159912884) is 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ccccn2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(F)cn2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ncc(OC)cn2)CC1.CCc1cc(-c2ccc(F)c(C)c2)nn1CC(=O)N1CCN(c2ncccn2)CC1.CCc1cc(-c2ccc(F)cc2)nn1CC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is NXKCXKZPFFTLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2.C23H26FN5O.C22H24F2N6O.C22H25FN6O.C22H24FN5O/c1-4-18-12-21(17-5-6-20(24)16(2)11-17)27-30(18)15-22(31)28-7-9-29(10-8-28)23-25-13-19(32-3)14-26-23;1-3-19-15-21(18-7-8-20(24)17(2)14-18)26-29(19)16-23(30)28-12-10-27(11-13-28)22-6-4-5-9-25-22;1-3-18-11-20(16-4-5-19(24)15(2)10-16)27-30(18)14-21(31)28-6-8-29(9-7-28)22-25-12-17(23)13-26-22;1-3-18-14-20(17-5-6-19(23)16(2)13-17)26-29(18)15-21(30)27-9-11-28(12-10-27)22-24-7-4-8-25-22;1-2-19-15-20(17-6-8-18(23)9-7-17)25-28(19)16-22(29)27-13-11-26(12-14-27)21-5-3-4-10-24-21/h5-6,11-14H,4,7-10,15H2,1-3H3;4-9,14-15H,3,10-13,16H2,1-2H3;4-5,10-13H,3,6-9,14H2,1-2H3;4-8,13-14H,3,9-12,15H2,1-2H3;3-10,15H,2,11-14,16H2,1H3.
What are the key properties of 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 2074.42 g/mol, XLogP of 14.54, 26 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluoro-3-methylphenyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[5-ethyl-3-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 159912884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).