N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide

C130H126F6N22O16 — CID 167629297

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(F)cc2)n1.CC(C)n1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc(F)c2)n1.CC(C)n1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2F)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)CF)n(-c2cnccn2)n1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)CF)o1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)CF)c(-c2ccccc2)n1
InChIInChI=1S/3C23H23FN4O3.C21H20FN3O2.C21H19FN2O3.C19H18FN5O2/c1-14(2)28-13-17(20(27-28)16-10-6-7-11-18(16)24)23(31)26-19(21(29)22(25)30)12-15-8-4-3-5-9-15;1-14(2)28-13-18(20(27-28)16-9-6-10-17(24)12-16)23(31)26-19(21(29)22(25)30)11-15-7-4-3-5-8-15;1-14(2)28-13-18(20(27-28)16-8-10-17(24)11-9-16)23(31)26-19(21(29)22(25)30)12-15-6-4-3-5-7-15;1-25-14-17(20(24-25)16-10-6-3-7-11-16)21(27)23-18(19(26)13-22)12-15-8-4-2-5-9-15;1-14-23-19(16-10-6-3-7-11-16)20(27-14)21(26)24-17(18(25)13-22)12-15-8-4-2-5-9-15;1-13-9-16(25(24-13)18-12-21-7-8-22-18)19(27)23-15(17(26)11-20)10-14-5-3-2-4-6-14/h3-11,13-14,19H,12H2,1-2H3,(H2,25,30)(H,26,31);3-10,12-14,19H,11H2,1-2H3,(H2,25,30)(H,26,31);3-11,13-14,19H,12H2,1-2H3,(H2,25,30)(H,26,31);2-11,14,18H,12-13H2,1H3,(H,23,27);2-11,17H,12-13H2,1H3,(H,24,26);2-9,12,15H,10-11H2,1H3,(H,23,27)
InChIKeyNODSEBKTMPWMBS-UHFFFAOYSA-N
MW2366.56 g/mol
LogP16.34
Rot. Bonds45

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide (PubChem CID 167629297) has the molecular formula C130H126F6N22O16 and a molecular weight of 2366.56 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide
PubChem CID167629297
Molecular FormulaC130H126F6N22O16
Molecular Weight2366.56 g/mol
Exact Mass2364.96
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(F)cc2)n1.CC(C)n1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc(F)c2)n1.CC(C)n1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2F)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)CF)n(-c2cnccn2)n1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)CF)o1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)CF)c(-c2ccccc2)n1
InChIInChI=1S/3C23H23FN4O3.C21H20FN3O2.C21H19FN2O3.C19H18FN5O2/c1-14(2)28-13-17(20(27-28)16-10-6-7-11-18(16)24)23(31)26-19(21(29)22(25)30)12-15-8-4-3-5-9-15;1-14(2)28-13-18(20(27-28)16-9-6-10-17(24)12-16)23(31)26-19(21(29)22(25)30)11-15-7-4-3-5-8-15;1-14(2)28-13-18(20(27-28)16-8-10-17(24)11-9-16)23(31)26-19(21(29)22(25)30)12-15-6-4-3-5-7-15;1-25-14-17(20(24-25)16-10-6-3-7-11-16)21(27)23-18(19(26)13-22)12-15-8-4-2-5-9-15;1-14-23-19(16-10-6-3-7-11-16)20(27-14)21(26)24-17(18(25)13-22)12-15-8-4-2-5-9-15;1-13-9-16(25(24-13)18-12-21-7-8-22-18)19(27)23-15(17(26)11-20)10-14-5-3-2-4-6-14/h3-11,13-14,19H,12H2,1-2H3,(H2,25,30)(H,26,31);3-10,12-14,19H,11H2,1-2H3,(H2,25,30)(H,26,31);3-11,13-14,19H,12H2,1-2H3,(H2,25,30)(H,26,31);2-11,14,18H,12-13H2,1H3,(H,23,27);2-11,17H,12-13H2,1H3,(H,24,26);2-9,12,15H,10-11H2,1H3,(H,23,27)
InChIKeyNODSEBKTMPWMBS-UHFFFAOYSA-N
XLogP16.34
TPSA547.20 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds45
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002366.56
LogP ≤ 516.34
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

CID 158199544
CID 158199544
N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1-propan-2-ylpyrazole-4-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 160224548
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 161708653
N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(4-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-[3,4-dioxo-1-phenyl-4-[[4-(trifluoromethoxy)phenyl]methylamino]butan-2-yl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 167552826
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(5-fluoro-3-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-isoquinolin-4-yl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-quinolin-2-ylpyrazole-4-carboxamide
CID 157455542
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-benzyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,6-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-methoxy-2-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-phenylimidazole-2-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide
CID 157516982
1-[2-(1-Benzyl-2,5-dimethylimidazol-4-yl)-2-oxoethyl]-5-methylpyridin-2-one;1-[2-(1-benzyl-5-methylpyrazol-4-yl)-2-oxoethyl]-5-ethynyl-3-fluoropyridin-2-one;1-[2-(5-benzyl-1,3-oxazol-2-yl)-2-oxoethyl]-5-ethenylpyridin-2-one;5-ethynyl-1-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylimidazol-4-yl]-2-oxoethyl]pyridin-2-one;1-[2-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]-2-oxoethyl]-5-methylpyridin-2-one;1-[2-[1-[(3-isocyanophenyl)methyl]-5-methylpyrazol-4-yl]-2-oxoethyl]-5-methylpyridin-2-one
CID 157715883
N-(1-amino-1,2-dioxoheptan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(1H-benzimidazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-5-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyltriazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-phenyl-2H-triazole-4-carboxamide
CID 158390974
N-[(3S)-1-amino-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-(2-fluorophenyl)-2-methyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-methyl-4-(6-methyl-2-pyridinyl)-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-methyl-5-phenylimidazole-4-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-pyridin-2-yl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide
CID 158607608
2-(3-benzylphenyl)-5-methyl-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;4-(2-fluorophenyl)-2-methyl-N-(1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-5-carboxamide;formaldehyde;5-methyl-2-(5-methyl-2-pyridinyl)-N-(1-oxo-3-phenylpropan-2-yl)pyrazole-3-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-pyridin-2-ylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide
CID 158659303
N-(1-amino-1,2-dioxopentan-3-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(2-methylpyrimidin-4-yl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-4-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-4-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-4-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1-propan-2-ylpyrazole-4-carboxamide
CID 158763012
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide;N-[(1S,2S)-2-hydroxycyclopentyl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 158894627

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide (CID 167629297) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide is CC(C)n1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(F)cc2)n1.CC(C)n1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc(F)c2)n1.CC(C)n1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2F)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)CF)n(-c2cnccn2)n1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)CF)o1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)CF)c(-c2ccccc2)n1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide?
The InChIKey is NODSEBKTMPWMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H23FN4O3.C21H20FN3O2.C21H19FN2O3.C19H18FN5O2/c1-14(2)28-13-17(20(27-28)16-10-6-7-11-18(16)24)23(31)26-19(21(29)22(25)30)12-15-8-4-3-5-9-15;1-14(2)28-13-18(20(27-28)16-9-6-10-17(24)12-16)23(31)26-19(21(29)22(25)30)11-15-7-4-3-5-8-15;1-14(2)28-13-18(20(27-28)16-8-10-17(24)11-9-16)23(31)26-19(21(29)22(25)30)12-15-6-4-3-5-7-15;1-25-14-17(20(24-25)16-10-6-3-7-11-16)21(27)23-18(19(26)13-22)12-15-8-4-2-5-9-15;1-14-23-19(16-10-6-3-7-11-16)20(27-14)21(26)24-17(18(25)13-22)12-15-8-4-2-5-9-15;1-13-9-16(25(24-13)18-12-21-7-8-22-18)19(27)23-15(17(26)11-20)10-14-5-3-2-4-6-14/h3-11,13-14,19H,12H2,1-2H3,(H2,25,30)(H,26,31);3-10,12-14,19H,11H2,1-2H3,(H2,25,30)(H,26,31);3-11,13-14,19H,12H2,1-2H3,(H2,25,30)(H,26,31);2-11,14,18H,12-13H2,1H3,(H,23,27);2-11,17H,12-13H2,1H3,(H,24,26);2-9,12,15H,10-11H2,1H3,(H,23,27).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide has a molecular weight of 2366.56 g/mol, XLogP of 16.34, 45 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-propan-2-ylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 167629297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).