4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide

C97H61N31O10S — CID 158667806

About 4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide

4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide (PubChem CID 158667806) has the molecular formula C97H61N31O10S and a molecular weight of 1852.83 g/mol. Its IUPAC name is 4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide
• PubChem CID: 158667806
• Molecular Formula: C97H61N31O10S
• Molecular Weight: 1852.83 g/mol
• Exact Mass: 1851.49
• IUPAC Name: 4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide
• SMILES: [C-]#[N+]c1cnn(-c2nc3ccccc3o2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2C(N)=O)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(N)=O)cc2ccccc12.[C-]#[N+]c1cnn(-c2nccs2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12
• InChI: InChI=1S/C28H17N7O3.C26H17N9O3.C24H15N7O2S.C19H12N8O2/c1-29-22-16-30-35(28-32-21-13-7-8-14-23(21)38-28)26(22)34-33-24-19-12-6-5-9-17(19)15-20(25(24)36)27(37)31-18-10-3-2-4-11-18;1-28-20-14-31-35(26-29-11-6-12-30-26)24(20)34-33-21-16-8-3-2-7-15(16)13-18(22(21)36)25(38)32-19-10-5-4-9-17(19)23(27)37;1-25-19-14-27-31(24-26-11-12-34-24)22(19)30-29-20-17-10-6-5-7-15(17)13-18(21(20)32)23(33)28-16-8-3-2-4-9-16;1-21-14-10-24-27(19-22-7-4-8-23-19)18(14)26-25-15-12-6-3-2-5-11(12)9-13(16(15)28)17(20)29/h2-16,36H,(H,31,37);2-14,36H,(H2,27,37)(H,32,38);2-14,32H,(H,28,33);2-10,28H,(H2,20,29)/b2*34-33+;30-29+;26-25+
• InChIKey: IDOQUDRQSDOWDQ-RMIUENBMSA-N
• XLogP: 21.92
• TPSA: 532.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1852.83
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

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'}

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide?

The IUPAC name of 4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide (CID 158667806) is 4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide.

What is the SMILES notation for 4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide?

The canonical SMILES for 4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide is [C-]#[N+]c1cnn(-c2nc3ccccc3o2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2C(N)=O)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(N)=O)cc2ccccc12.[C-]#[N+]c1cnn(-c2nccs2)c1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.

What is the InChIKey of 4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide?

The InChIKey is IDOQUDRQSDOWDQ-RMIUENBMSA-N. The full InChI is InChI=1S/C28H17N7O3.C26H17N9O3.C24H15N7O2S.C19H12N8O2/c1-29-22-16-30-35(28-32-21-13-7-8-14-23(21)38-28)26(22)34-33-24-19-12-6-5-9-17(19)15-20(25(24)36)27(37)31-18-10-3-2-4-11-18;1-28-20-14-31-35(26-29-11-6-12-30-26)24(20)34-33-21-16-8-3-2-7-15(16)13-18(22(21)36)25(38)32-19-10-5-4-9-17(19)23(27)37;1-25-19-14-27-31(24-26-11-12-34-24)22(19)30-29-20-17-10-6-5-7-15(17)13-18(21(20)32)23(33)28-16-8-3-2-4-9-16;1-21-14-10-24-27(19-22-7-4-8-23-19)18(14)26-25-15-12-6-3-2-5-11(12)9-13(16(15)28)17(20)29/h2-16,36H,(H,31,37);2-14,36H,(H2,27,37)(H,32,38);2-14,32H,(H,28,33);2-10,28H,(H2,20,29)/b2*34-33+;30-29+;26-25+.

What are the key properties of 4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide?

4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide has a molecular weight of 1852.83 g/mol, XLogP of 21.92, 20 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-(1,3-benzoxazol-2-yl)-4-isocyanopyrazol-5-yl]diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;N-(2-carbamoylphenyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-4-[[4-isocyano-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 158667806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).