N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide

C129H138N24O20 — CID 157137543

IUPACN-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide
SMILESCCC(C)C(NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)C(N)=O.CCC(NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)C(N)=O.COCCOCCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccccc1.Cc1cc(C)cc(CC(NC(=O)c2cn(C)nc2-c2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)NCC(=O)C(=O)NCc2ncco2)c(-c2ccccc2)n1.O=CC(Cc1ccccc1)NC(=O)c1cn(C2CC2)nc1-c1ccccc1.c1ccccc1
InChIInChI=1S/C26H30N4O5.C23H24N4O3.C22H21N3O2.C18H17N5O4.C18H22N4O3.C16H18N4O3.C6H6/c1-30-18-21(23(29-30)20-11-7-4-8-12-20)25(32)28-22(17-19-9-5-3-6-10-19)24(31)26(33)27-13-14-35-16-15-34-2;1-14-9-15(2)11-16(10-14)12-19(21(28)22(24)29)25-23(30)18-13-27(3)26-20(18)17-7-5-4-6-8-17;26-15-18(13-16-7-3-1-4-8-16)23-22(27)20-14-25(19-11-12-19)24-21(20)17-9-5-2-6-10-17;1-23-11-13(16(22-23)12-5-3-2-4-6-12)17(25)20-9-14(24)18(26)21-10-15-19-7-8-27-15;1-4-11(2)14(16(23)17(19)24)20-18(25)13-10-22(3)21-15(13)12-8-6-5-7-9-12;1-3-12(14(21)15(17)22)18-16(23)11-9-20(2)19-13(11)10-7-5-4-6-8-10;1-2-4-6-5-3-1/h3-12,18,22H,13-17H2,1-2H3,(H,27,33)(H,28,32);4-11,13,19H,12H2,1-3H3,(H2,24,29)(H,25,30);1-10,14-15,18-19H,11-13H2,(H,23,27);2-8,11H,9-10H2,1H3,(H,20,25)(H,21,26);5-11,14H,4H2,1-3H3,(H2,19,24)(H,20,25);4-9,12H,3H2,1-2H3,(H2,17,22)(H,18,23);1-6H
InChIKeyAJUJVRCVUNMPTL-UHFFFAOYSA-N
MW2344.67 g/mol
LogP11.61
Rot. Bonds47

About N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide

N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide (PubChem CID 157137543) has the molecular formula C129H138N24O20 and a molecular weight of 2344.67 g/mol. Its IUPAC name is N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide
PubChem CID157137543
Molecular FormulaC129H138N24O20
Molecular Weight2344.67 g/mol
Exact Mass2343.05
IUPAC NameN-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide
SMILESCCC(C)C(NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)C(N)=O.CCC(NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)C(N)=O.COCCOCCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccccc1.Cc1cc(C)cc(CC(NC(=O)c2cn(C)nc2-c2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)NCC(=O)C(=O)NCc2ncco2)c(-c2ccccc2)n1.O=CC(Cc1ccccc1)NC(=O)c1cn(C2CC2)nc1-c1ccccc1.c1ccccc1
InChIInChI=1S/C26H30N4O5.C23H24N4O3.C22H21N3O2.C18H17N5O4.C18H22N4O3.C16H18N4O3.C6H6/c1-30-18-21(23(29-30)20-11-7-4-8-12-20)25(32)28-22(17-19-9-5-3-6-10-19)24(31)26(33)27-13-14-35-16-15-34-2;1-14-9-15(2)11-16(10-14)12-19(21(28)22(24)29)25-23(30)18-13-27(3)26-20(18)17-7-5-4-6-8-17;26-15-18(13-16-7-3-1-4-8-16)23-22(27)20-14-25(19-11-12-19)24-21(20)17-9-5-2-6-10-17;1-23-11-13(16(22-23)12-5-3-2-4-6-12)17(25)20-9-14(24)18(26)21-10-15-19-7-8-27-15;1-4-11(2)14(16(23)17(19)24)20-18(25)13-10-22(3)21-15(13)12-8-6-5-7-9-12;1-3-12(14(21)15(17)22)18-16(23)11-9-20(2)19-13(11)10-7-5-4-6-8-10;1-2-4-6-5-3-1/h3-12,18,22H,13-17H2,1-2H3,(H,27,33)(H,28,32);4-11,13,19H,12H2,1-3H3,(H2,24,29)(H,25,30);1-10,14-15,18-19H,11-13H2,(H,23,27);2-8,11H,9-10H2,1H3,(H,20,25)(H,21,26);5-11,14H,4H2,1-3H3,(H2,19,24)(H,20,25);4-9,12H,3H2,1-2H3,(H2,17,22)(H,18,23);1-6H
InChIKeyAJUJVRCVUNMPTL-UHFFFAOYSA-N
XLogP11.61
TPSA615.90 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds47
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002344.67
LogP ≤ 511.61
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide with MolForge

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Related Compounds

1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide
CID 134397058
1-methyl-N-[(2S)-4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide
CID 142753570
N-[(3S)-1-amino-1,2-dioxopentan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-ethyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-4-phenylpyrazole-5-carboxamide;N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1H-pyrazole-5-carboxamide;N-[(2S)-3,4-dioxo-1-phenylpentan-2-yl]-4-phenyl-1,3-oxazole-5-carboxamide
CID 159911518
N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-[[2-(methylamino)-2-oxoethyl]amino]-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide
CID 160093143
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-(3-fluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-(4-fluorophenyl)pyrazole-4-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
CID 160157317
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-cyclopropyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;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-4-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1-propan-2-ylpyrazole-4-carboxamide
CID 165063816
N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide
CID 165072732
N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide
CID 167593919

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide (CID 157137543) is N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide is CCC(C)C(NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)C(N)=O.CCC(NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)C(N)=O.COCCOCCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1ccccc1.Cc1cc(C)cc(CC(NC(=O)c2cn(C)nc2-c2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)NCC(=O)C(=O)NCc2ncco2)c(-c2ccccc2)n1.O=CC(Cc1ccccc1)NC(=O)c1cn(C2CC2)nc1-c1ccccc1.c1ccccc1.
What is the InChIKey of N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide?
The InChIKey is AJUJVRCVUNMPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5.C23H24N4O3.C22H21N3O2.C18H17N5O4.C18H22N4O3.C16H18N4O3.C6H6/c1-30-18-21(23(29-30)20-11-7-4-8-12-20)25(32)28-22(17-19-9-5-3-6-10-19)24(31)26(33)27-13-14-35-16-15-34-2;1-14-9-15(2)11-16(10-14)12-19(21(28)22(24)29)25-23(30)18-13-27(3)26-20(18)17-7-5-4-6-8-17;26-15-18(13-16-7-3-1-4-8-16)23-22(27)20-14-25(19-11-12-19)24-21(20)17-9-5-2-6-10-17;1-23-11-13(16(22-23)12-5-3-2-4-6-12)17(25)20-9-14(24)18(26)21-10-15-19-7-8-27-15;1-4-11(2)14(16(23)17(19)24)20-18(25)13-10-22(3)21-15(13)12-8-6-5-7-9-12;1-3-12(14(21)15(17)22)18-16(23)11-9-20(2)19-13(11)10-7-5-4-6-8-10;1-2-4-6-5-3-1/h3-12,18,22H,13-17H2,1-2H3,(H,27,33)(H,28,32);4-11,13,19H,12H2,1-3H3,(H2,24,29)(H,25,30);1-10,14-15,18-19H,11-13H2,(H,23,27);2-8,11H,9-10H2,1H3,(H,20,25)(H,21,26);5-11,14H,4H2,1-3H3,(H2,19,24)(H,20,25);4-9,12H,3H2,1-2H3,(H2,17,22)(H,18,23);1-6H.
What are the key properties of N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide?
N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 2344.67 g/mol, XLogP of 11.61, 47 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;benzene;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-[4-[2-(2-methoxyethoxy)ethylamino]-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;1-methyl-N-[3-(1,3-oxazol-2-ylmethylamino)-2,3-dioxopropyl]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 157137543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).