3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide

C135H132ClN23O21S — CID 159047050

About 3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide

3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 159047050) has the molecular formula C135H132ClN23O21S and a molecular weight of 2480.20 g/mol. Its IUPAC name is 3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide
• PubChem CID: 159047050
• Molecular Formula: C135H132ClN23O21S
• Molecular Weight: 2480.20 g/mol
• Exact Mass: 2477.94
• IUPAC Name: 3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide
• SMILES: CCCCC(NC(=O)c1oc(C)nc1-c1ccccc1)C(=O)C(=O)NC1CC1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)o1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)c(-c2ccccc2)n1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)nn1-c1ncccn1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cnoc1-c1ccccc1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1
• InChI: InChI=1S/C24H24N4O3.C24H23N3O4.C23H21N3O4.C22H20N4O3S.C21H19ClN6O3.C21H25N3O4/c1-28-15-19(21(27-28)17-10-6-3-7-11-17)23(30)26-20(14-16-8-4-2-5-9-16)22(29)24(31)25-18-12-13-18;1-15-25-20(17-10-6-3-7-11-17)22(31-15)24(30)27-19(14-16-8-4-2-5-9-16)21(28)23(29)26-18-12-13-18;27-20(23(29)25-17-11-12-17)19(13-15-7-3-1-4-8-15)26-22(28)18-14-24-30-21(18)16-9-5-2-6-10-16;27-20(22(29)23-16-11-12-16)17(13-14-7-3-1-4-8-14)24-21(28)19-18(25-30-26-19)15-9-5-2-6-10-15;22-17-12-16(28(27-17)21-23-9-4-10-24-21)19(30)26-15(11-13-5-2-1-3-6-13)18(29)20(31)25-14-7-8-14;1-3-4-10-16(18(25)20(26)23-15-11-12-15)24-21(27)19-17(22-13(2)28-19)14-8-6-5-7-9-14/h2-11,15,18,20H,12-14H2,1H3,(H,25,31)(H,26,30);2-11,18-19H,12-14H2,1H3,(H,26,29)(H,27,30);1-10,14,17,19H,11-13H2,(H,25,29)(H,26,28);1-10,16-17H,11-13H2,(H,23,29)(H,24,28);1-6,9-10,12,14-15H,7-8,11H2,(H,25,31)(H,26,30);5-9,15-16H,3-4,10-12H2,1-2H3,(H,23,26)(H,24,27)
• InChIKey: JWUDRRREFKHQPA-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 616.91 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 49
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2480.20
LogP ≤ 5	14.33
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The IUPAC name of 3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide (CID 159047050) is 3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide.

What is the SMILES notation for 3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The canonical SMILES for 3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide is CCCCC(NC(=O)c1oc(C)nc1-c1ccccc1)C(=O)C(=O)NC1CC1.Cc1nc(-c2ccccc2)c(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)o1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)c(-c2ccccc2)n1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)nn1-c1ncccn1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cnoc1-c1ccccc1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1.

What is the InChIKey of 3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The InChIKey is JWUDRRREFKHQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3.C24H23N3O4.C23H21N3O4.C22H20N4O3S.C21H19ClN6O3.C21H25N3O4/c1-28-15-19(21(27-28)17-10-6-3-7-11-17)23(30)26-20(14-16-8-4-2-5-9-16)22(29)24(31)25-18-12-13-18;1-15-25-20(17-10-6-3-7-11-17)22(31-15)24(30)27-19(14-16-8-4-2-5-9-16)21(28)23(29)26-18-12-13-18;27-20(23(29)25-17-11-12-17)19(13-15-7-3-1-4-8-15)26-22(28)18-14-24-30-21(18)16-9-5-2-6-10-16;27-20(22(29)23-16-11-12-16)17(13-14-7-3-1-4-8-14)24-21(28)19-18(25-30-26-19)15-9-5-2-6-10-15;22-17-12-16(28(27-17)21-23-9-4-10-24-21)19(30)26-15(11-13-5-2-1-3-6-13)18(29)20(31)25-14-7-8-14;1-3-4-10-16(18(25)20(26)23-15-11-12-15)24-21(27)19-17(22-13(2)28-19)14-8-6-5-7-9-14/h2-11,15,18,20H,12-14H2,1H3,(H,25,31)(H,26,30);2-11,18-19H,12-14H2,1H3,(H,26,29)(H,27,30);1-10,14,17,19H,11-13H2,(H,25,29)(H,26,28);1-10,16-17H,11-13H2,(H,23,29)(H,24,28);1-6,9-10,12,14-15H,7-8,11H2,(H,25,31)(H,26,30);5-9,15-16H,3-4,10-12H2,1-2H3,(H,23,26)(H,24,27).

What are the key properties of 3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 2480.20 g/mol, XLogP of 14.33, 49 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-phenyl-1,2-oxazole-4-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-4-phenyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 159047050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).