1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide

C95H63N47O13 — CID 157318228

About 1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide

1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide (PubChem CID 157318228) has the molecular formula C95H63N47O13 and a molecular weight of 2070.86 g/mol. Its IUPAC name is 1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide
• PubChem CID: 157318228
• Molecular Formula: C95H63N47O13
• Molecular Weight: 2070.86 g/mol
• Exact Mass: 2069.57
• IUPAC Name: 1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide
• SMILES: N#Cc1cnn(-c2ccccn2)c1/N=N/c1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O.N#Cc1cnn(-c2nc(=O)[nH]c(=O)[nH]2)c1/N=N/c1c(O)n(-c2ncccn2)[nH]c1=O.N#Cc1cnn(-c2ncccn2)c1/N=N/c1c(O)n(-c2ccccc2)[nH]c1=O.N#Cc1cnn(-c2ncccn2)c1/N=N/c1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O.NC(=O)c1cnn(-c2ncccn2)c1/N=N/c1c(O)n(-c2ccccc2)[nH]c1=O
• InChI: InChI=1S/C24H16N8O2.C23H15N9O2.C17H13N9O3.C17H11N9O2.C14H8N12O4/c25-15-17-16-27-30(20-13-7-8-14-26-20)22(17)29-28-21-23(33)31(18-9-3-1-4-10-18)32(24(21)34)19-11-5-2-6-12-19;24-14-16-15-27-30(23-25-12-7-13-26-23)20(16)29-28-19-21(33)31(17-8-3-1-4-9-17)32(22(19)34)18-10-5-2-6-11-18;18-13(27)11-9-21-26(17-19-7-4-8-20-17)14(11)23-22-12-15(28)24-25(16(12)29)10-5-2-1-3-6-10;18-9-11-10-21-26(17-19-7-4-8-20-17)14(11)23-22-13-15(27)24-25(16(13)28)12-5-2-1-3-6-12;15-4-6-5-18-25(12-19-13(29)21-14(30)20-12)8(6)23-22-7-9(27)24-26(10(7)28)11-16-2-1-3-17-11/h1-14,16,33H;1-13,15,33H;1-9,29H,(H2,18,27)(H,24,28);1-8,10,28H,(H,24,27);1-3,5,28H,(H,24,27)(H2,19,20,21,29,30)/b2*29-28+;3*23-22+
• InChIKey: BDVXKJUZRKJVTM-VCEDHFSUSA-N
• XLogP: 10.20
• TPSA: 813.95 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 54
• Rotatable Bonds: 23
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2070.86
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide?

The IUPAC name of 1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide (CID 157318228) is 1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide is N#Cc1cnn(-c2ccccn2)c1/N=N/c1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O.N#Cc1cnn(-c2nc(=O)[nH]c(=O)[nH]2)c1/N=N/c1c(O)n(-c2ncccn2)[nH]c1=O.N#Cc1cnn(-c2ncccn2)c1/N=N/c1c(O)n(-c2ccccc2)[nH]c1=O.N#Cc1cnn(-c2ncccn2)c1/N=N/c1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O.NC(=O)c1cnn(-c2ncccn2)c1/N=N/c1c(O)n(-c2ccccc2)[nH]c1=O.

What is the InChIKey of 1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide?

The InChIKey is BDVXKJUZRKJVTM-VCEDHFSUSA-N. The full InChI is InChI=1S/C24H16N8O2.C23H15N9O2.C17H13N9O3.C17H11N9O2.C14H8N12O4/c25-15-17-16-27-30(20-13-7-8-14-26-20)22(17)29-28-21-23(33)31(18-9-3-1-4-10-18)32(24(21)34)19-11-5-2-6-12-19;24-14-16-15-27-30(23-25-12-7-13-26-23)20(16)29-28-19-21(33)31(17-8-3-1-4-9-17)32(22(19)34)18-10-5-2-6-11-18;18-13(27)11-9-21-26(17-19-7-4-8-20-17)14(11)23-22-12-15(28)24-25(16(12)29)10-5-2-1-3-6-10;18-9-11-10-21-26(17-19-7-4-8-20-17)14(11)23-22-13-15(27)24-25(16(13)28)12-5-2-1-3-6-12;15-4-6-5-18-25(12-19-13(29)21-14(30)20-12)8(6)23-22-7-9(27)24-26(10(7)28)11-16-2-1-3-17-11/h1-14,16,33H;1-13,15,33H;1-9,29H,(H2,18,27)(H,24,28);1-8,10,28H,(H,24,27);1-3,5,28H,(H,24,27)(H2,19,20,21,29,30)/b2*29-28+;3*23-22+.

What are the key properties of 1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide?

1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide has a molecular weight of 2070.86 g/mol, XLogP of 10.20, 23 rotatable bonds, 11 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-5-[(3-hydroxy-5-oxo-2-pyrimidin-2-yl-1H-pyrazol-4-yl)diazenyl]pyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carbonitrile;5-[(3-hydroxy-5-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-1-pyrimidin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 157318228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).