5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese

C126H130CuFeMnN46O20 — CID 161274623

About 5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese

5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese (PubChem CID 161274623) has the molecular formula C126H130CuFeMnN46O20 and a molecular weight of 2783.06 g/mol. Its IUPAC name is 5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese.

Molecular Properties

• Compound Name: 5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese
• PubChem CID: 161274623
• Molecular Formula: C126H130CuFeMnN46O20
• Molecular Weight: 2783.06 g/mol
• Exact Mass: 2780.86
• IUPAC Name: 5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese
• SMILES: CCCCn1c(O)c(/N=N/c2c(C#N)cnn2-c2ccccn2)c(=O)n(C2CCCCC2)c1=O.CCOC(=O)c1cnn(-c2ccccn2)c1/N=N/c1c(O)n(C)c(=O)n(C)c1=O.CCOC(=O)c1cnn(-c2ccccn2)c1/N=N/c1c(O)n(C)c(=O)n(C)c1=O.Cn1c(O)c(/N=N/c2c(C#N)c(C(C)(C)C)nn2-c2ccccn2)c(=O)n1-c1ccccc1.[C-]#[N+]c1c(C(C)(C)C)nn(-c2ccccn2)c1/N=N/c1c(O)n(C)n(-c2ccccc2)c1=O.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(O)n(CCCC)c(=O)n(C2CCCCC2)c1=O.[Cu].[Fe].[Mn]
• InChI: InChI=1S/2C23H26N8O3.2C23H22N8O2.2C17H17N7O5.Cu.Fe.Mn/c1-3-4-14-29-21(32)19(22(33)30(23(29)34)16-10-6-5-7-11-16)27-28-20-17(24-2)15-26-31(20)18-12-8-9-13-25-18;1-2-3-13-29-21(32)19(22(33)30(23(29)34)17-9-5-4-6-10-17)27-28-20-16(14-24)15-26-31(20)18-11-7-8-12-25-18;1-23(2,3)19-17(24-4)20(30(28-19)16-13-9-10-14-25-16)27-26-18-21(32)29(5)31(22(18)33)15-11-7-6-8-12-15;1-23(2,3)19-16(14-24)20(30(28-19)17-12-8-9-13-25-17)27-26-18-21(32)29(4)31(22(18)33)15-10-6-5-7-11-15;2*1-4-29-16(27)10-9-19-24(11-7-5-6-8-18-11)13(10)21-20-12-14(25)22(2)17(28)23(3)15(12)26;;;/h8-9,12-13,15-16,32H,3-7,10-11,14H2,1H3;7-8,11-12,15,17,32H,2-6,9-10,13H2,1H3;6-14,32H,1-3,5H3;5-13,32H,1-4H3;2*5-9,25H,4H2,1-3H3;;;/b2*28-27+;2*27-26+;2*21-20+
• InChIKey: MFMRVLDAZCOQKE-OCAQGKOKSA-N
• XLogP: 19.15
• TPSA: 792.72 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 64
• Rotatable Bonds: 32
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2783.06
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	64

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese?

The IUPAC name of 5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese (CID 161274623) is 5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese.

What is the SMILES notation for 5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese?

The canonical SMILES for 5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese is CCCCn1c(O)c(/N=N/c2c(C#N)cnn2-c2ccccn2)c(=O)n(C2CCCCC2)c1=O.CCOC(=O)c1cnn(-c2ccccn2)c1/N=N/c1c(O)n(C)c(=O)n(C)c1=O.CCOC(=O)c1cnn(-c2ccccn2)c1/N=N/c1c(O)n(C)c(=O)n(C)c1=O.Cn1c(O)c(/N=N/c2c(C#N)c(C(C)(C)C)nn2-c2ccccn2)c(=O)n1-c1ccccc1.[C-]#[N+]c1c(C(C)(C)C)nn(-c2ccccn2)c1/N=N/c1c(O)n(C)n(-c2ccccc2)c1=O.[C-]#[N+]c1cnn(-c2ccccn2)c1/N=N/c1c(O)n(CCCC)c(=O)n(C2CCCCC2)c1=O.[Cu].[Fe].[Mn].

What is the InChIKey of 5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese?

The InChIKey is MFMRVLDAZCOQKE-OCAQGKOKSA-N. The full InChI is InChI=1S/2C23H26N8O3.2C23H22N8O2.2C17H17N7O5.Cu.Fe.Mn/c1-3-4-14-29-21(32)19(22(33)30(23(29)34)16-10-6-5-7-11-16)27-28-20-17(24-2)15-26-31(20)18-12-8-9-13-25-18;1-2-3-13-29-21(32)19(22(33)30(23(29)34)17-9-5-4-6-10-17)27-28-20-16(14-24)15-26-31(20)18-11-7-8-12-25-18;1-23(2,3)19-17(24-4)20(30(28-19)16-13-9-10-14-25-16)27-26-18-21(32)29(5)31(22(18)33)15-11-7-6-8-12-15;1-23(2,3)19-16(14-24)20(30(28-19)17-12-8-9-13-25-17)27-26-18-21(32)29(4)31(22(18)33)15-10-6-5-7-11-15;2*1-4-29-16(27)10-9-19-24(11-7-5-6-8-18-11)13(10)21-20-12-14(25)22(2)17(28)23(3)15(12)26;;;/h8-9,12-13,15-16,32H,3-7,10-11,14H2,1H3;7-8,11-12,15,17,32H,2-6,9-10,13H2,1H3;6-14,32H,1-3,5H3;5-13,32H,1-4H3;2*5-9,25H,4H2,1-3H3;;;/b2*28-27+;2*27-26+;2*21-20+;;;.

What are the key properties of 5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese?

5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese has a molecular weight of 2783.06 g/mol, XLogP of 19.15, 32 rotatable bonds, 6 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1-butyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;1-butyl-3-cyclohexyl-6-hydroxy-5-[(4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]pyrimidine-2,4-dione;3-tert-butyl-5-[(5-hydroxy-1-methyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile;4-[(3-tert-butyl-4-isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-5-hydroxy-1-methyl-2-phenylpyrazol-3-one;copper;bis(ethyl 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate);iron;manganese is sourced from PubChem (CID 161274623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).