1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one

C122H116F4N20O12 — CID 158379589

IUPAC1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one
SMILESC=C(C)c1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2C)c1.C=C(F)c1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2C)c1.C=Cc1ccc(=O)n(C(C)C(=O)c2cnn(Cc3ccccn3)c2C)c1.C=Cc1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2C(F)(F)F)c1.C=Cc1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2CC)c1.C=Cc1ccc(=O)n(CC(=O)c2cnn(Cc3ccccn3)c2CC)c1
InChIInChI=1S/2C21H21N3O2.C20H16F3N3O2.C20H18FN3O2.2C20H20N4O2/c1-15(2)18-9-10-21(26)23(13-18)14-20(25)19-11-22-24(16(19)3)12-17-7-5-4-6-8-17;1-3-16-10-11-21(26)23(13-16)15-20(25)18-12-22-24(19(18)4-2)14-17-8-6-5-7-9-17;1-2-14-8-9-18(28)25(11-14)13-17(27)16-10-24-26(19(16)20(21,22)23)12-15-6-4-3-5-7-15;1-14(21)17-8-9-20(26)23(12-17)13-19(25)18-10-22-24(15(18)2)11-16-6-4-3-5-7-16;1-4-16-8-9-19(25)23(12-16)15(3)20(26)18-11-22-24(14(18)2)13-17-7-5-6-10-21-17;1-3-15-8-9-20(26)23(12-15)14-19(25)17-11-22-24(18(17)4-2)13-16-7-5-6-10-21-16/h4-11,13H,1,12,14H2,2-3H3;3,5-13H,1,4,14-15H2,2H3;2-11H,1,12-13H2;3-10,12H,1,11,13H2,2H3;4-12,15H,1,13H2,2-3H3;3,5-12H,1,4,13-14H2,2H3
InChIKeyGVPVUGJFEFKSQK-UHFFFAOYSA-N
MW2130.39 g/mol
LogP18.82
Rot. Bonds38

About 1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one

1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one (PubChem CID 158379589) has the molecular formula C122H116F4N20O12 and a molecular weight of 2130.39 g/mol. Its IUPAC name is 1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one
PubChem CID158379589
Molecular FormulaC122H116F4N20O12
Molecular Weight2130.39 g/mol
Exact Mass2128.90
IUPAC Name1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one
SMILESC=C(C)c1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2C)c1.C=C(F)c1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2C)c1.C=Cc1ccc(=O)n(C(C)C(=O)c2cnn(Cc3ccccn3)c2C)c1.C=Cc1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2C(F)(F)F)c1.C=Cc1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2CC)c1.C=Cc1ccc(=O)n(CC(=O)c2cnn(Cc3ccccn3)c2CC)c1
InChIInChI=1S/2C21H21N3O2.C20H16F3N3O2.C20H18FN3O2.2C20H20N4O2/c1-15(2)18-9-10-21(26)23(13-18)14-20(25)19-11-22-24(16(19)3)12-17-7-5-4-6-8-17;1-3-16-10-11-21(26)23(13-16)15-20(25)18-12-22-24(19(18)4-2)14-17-8-6-5-7-9-17;1-2-14-8-9-18(28)25(11-14)13-17(27)16-10-24-26(19(16)20(21,22)23)12-15-6-4-3-5-7-15;1-14(21)17-8-9-20(26)23(12-17)13-19(25)18-10-22-24(15(18)2)11-16-6-4-3-5-7-16;1-4-16-8-9-19(25)23(12-16)15(3)20(26)18-11-22-24(14(18)2)13-17-7-5-6-10-21-17;1-3-15-8-9-20(26)23(12-15)14-19(25)17-11-22-24(18(17)4-2)13-16-7-5-6-10-21-16/h4-11,13H,1,12,14H2,2-3H3;3,5-13H,1,4,14-15H2,2H3;2-11H,1,12-13H2;3-10,12H,1,11,13H2,2H3;4-12,15H,1,13H2,2-3H3;3,5-12H,1,4,13-14H2,2H3
InChIKeyGVPVUGJFEFKSQK-UHFFFAOYSA-N
XLogP18.82
TPSA367.12 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002130.39
LogP ≤ 518.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one with MolForge

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
CID 142316885
N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;4-[1-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylpyridine-2-carboxamide
CID 157381613
2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 157467989
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157579703
8-[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[4-methyl-5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-pyrrolo[3,2-b]pyridin-2-one;1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-pyrrolo[3,2-b]pyridin-2-one;8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1-(2,4,6-trifluorophenyl)-1,8-diazaspiro[4.5]decan-4-one
CID 157701145
[2-(Triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157758696
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 158267899
4-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;N,N-dimethyl-4-[1-propyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;3-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylbenzamide;4-[1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide
CID 158308343
2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 158460730
5-[2-[(2R)-1-(3,5-difluorophenyl)-6-methyl-4-oxo-5-[3-(trifluoromethyl)pyrazol-1-yl]heptan-2-yl]-3-pyridinyl]-2-fluorobenzamide
CID 158514945
6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-4-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide
CID 158633225
tert-butyl 3-[[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]methyl]pyrrolidine-1-carboxylate;(7S)-N-[(1-methylpyrazol-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpyrrol-2-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-piperidin-1-ylethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-propanoylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-2-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 158680472

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one?
The IUPAC name of 1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one (CID 158379589) is 1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one.
What is the SMILES notation for 1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one?
The canonical SMILES for 1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one is C=C(C)c1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2C)c1.C=C(F)c1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2C)c1.C=Cc1ccc(=O)n(C(C)C(=O)c2cnn(Cc3ccccn3)c2C)c1.C=Cc1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2C(F)(F)F)c1.C=Cc1ccc(=O)n(CC(=O)c2cnn(Cc3ccccc3)c2CC)c1.C=Cc1ccc(=O)n(CC(=O)c2cnn(Cc3ccccn3)c2CC)c1.
What is the InChIKey of 1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one?
The InChIKey is GVPVUGJFEFKSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21N3O2.C20H16F3N3O2.C20H18FN3O2.2C20H20N4O2/c1-15(2)18-9-10-21(26)23(13-18)14-20(25)19-11-22-24(16(19)3)12-17-7-5-4-6-8-17;1-3-16-10-11-21(26)23(13-16)15-20(25)18-12-22-24(19(18)4-2)14-17-8-6-5-7-9-17;1-2-14-8-9-18(28)25(11-14)13-17(27)16-10-24-26(19(16)20(21,22)23)12-15-6-4-3-5-7-15;1-14(21)17-8-9-20(26)23(12-17)13-19(25)18-10-22-24(15(18)2)11-16-6-4-3-5-7-16;1-4-16-8-9-19(25)23(12-16)15(3)20(26)18-11-22-24(14(18)2)13-17-7-5-6-10-21-17;1-3-15-8-9-20(26)23(12-15)14-19(25)17-11-22-24(18(17)4-2)13-16-7-5-6-10-21-16/h4-11,13H,1,12,14H2,2-3H3;3,5-13H,1,4,14-15H2,2H3;2-11H,1,12-13H2;3-10,12H,1,11,13H2,2H3;4-12,15H,1,13H2,2-3H3;3,5-12H,1,4,13-14H2,2H3.
What are the key properties of 1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one?
1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one has a molecular weight of 2130.39 g/mol, XLogP of 18.82, 38 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzyl-5-ethylpyrazol-4-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-(1-fluoroethenyl)pyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-prop-1-en-2-ylpyridin-2-one;1-[2-[1-benzyl-5-(trifluoromethyl)pyrazol-4-yl]-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethenyl-1-[2-[5-ethyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-2-oxoethyl]pyridin-2-one;5-ethenyl-1-[1-[5-methyl-1-(pyridin-2-ylmethyl)pyrazol-4-yl]-1-oxopropan-2-yl]pyridin-2-one is sourced from PubChem (CID 158379589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).