5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate

C109H83ClN34O16S — CID 162177777

About 5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate

5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate (PubChem CID 162177777) has the molecular formula C109H83ClN34O16S and a molecular weight of 2192.60 g/mol. Its IUPAC name is 5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

• Compound Name: 5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate
• PubChem CID: 162177777
• Molecular Formula: C109H83ClN34O16S
• Molecular Weight: 2192.60 g/mol
• Exact Mass: 2190.61
• IUPAC Name: 5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate
• SMILES: COC(=O)c1cc2ccccc2c(/N=N/c2c(C(=O)OC)cnn2C)c1O.Cc1nc(/N=N/c2c(O)c(C(=O)Nc3ccc(CO)cc3)cc3ccccc23)n(-c2ncccn2)n1.Cn1ncc(C(N)=O)c1/N=N/c1c(O)c(C(N)=O)cc2ccccc12.[C-]#[N+]c1c(C)nn(-c2nccs2)c1/N=N/c1c(O)c(C(=O)Nc2ccc(CO)cc2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccc(Cl)nc2)cc2ccccc12
• InChI: InChI=1S/C26H19N7O3S.C25H20N8O3.C24H14ClN9O2.C18H16N4O5.C16H14N6O3/c1-15-21(27-2)24(33(32-15)26-28-11-12-37-26)31-30-22-19-6-4-3-5-17(19)13-20(23(22)35)25(36)29-18-9-7-16(14-34)8-10-18;1-15-28-25(33(32-15)24-26-11-4-12-27-24)31-30-21-19-6-3-2-5-17(19)13-20(22(21)35)23(36)29-18-9-7-16(14-34)8-10-18;1-26-18-13-30-34(24-27-9-4-10-28-24)22(18)33-32-20-16-6-3-2-5-14(16)11-17(21(20)35)23(36)31-15-7-8-19(25)29-12-15;1-22-16(13(9-19-22)18(25)27-3)21-20-14-11-7-5-4-6-10(11)8-12(15(14)23)17(24)26-2;1-22-16(11(7-19-22)15(18)25)21-20-12-9-5-3-2-4-8(9)6-10(13(12)23)14(17)24/h3-13,34-35H,14H2,1H3,(H,29,36);2-13,34-35H,14H2,1H3,(H,29,36);2-13,35H,(H,31,36);4-9,23H,1-3H3;2-7,23H,1H3,(H2,17,24)(H2,18,25)/b2*31-30+;33-32+;2*21-20+
• InChIKey: ZOPRCKIMSCIPLN-NZMIYYKBSA-N
• XLogP: 21.54
• TPSA: 679.34 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 44
• Rotatable Bonds: 25
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2192.60
LogP ≤ 5	21.54
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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 5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate?

The IUPAC name of 5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate (CID 162177777) is 5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate.

What is the SMILES notation for 5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate?

The canonical SMILES for 5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate is COC(=O)c1cc2ccccc2c(/N=N/c2c(C(=O)OC)cnn2C)c1O.Cc1nc(/N=N/c2c(O)c(C(=O)Nc3ccc(CO)cc3)cc3ccccc23)n(-c2ncccn2)n1.Cn1ncc(C(N)=O)c1/N=N/c1c(O)c(C(N)=O)cc2ccccc12.[C-]#[N+]c1c(C)nn(-c2nccs2)c1/N=N/c1c(O)c(C(=O)Nc2ccc(CO)cc2)cc2ccccc12.[C-]#[N+]c1cnn(-c2ncccn2)c1/N=N/c1c(O)c(C(=O)Nc2ccc(Cl)nc2)cc2ccccc12.

What is the InChIKey of 5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate?

The InChIKey is ZOPRCKIMSCIPLN-NZMIYYKBSA-N. The full InChI is InChI=1S/C26H19N7O3S.C25H20N8O3.C24H14ClN9O2.C18H16N4O5.C16H14N6O3/c1-15-21(27-2)24(33(32-15)26-28-11-12-37-26)31-30-22-19-6-4-3-5-17(19)13-20(23(22)35)25(36)29-18-9-7-16(14-34)8-10-18;1-15-28-25(33(32-15)24-26-11-4-12-27-24)31-30-21-19-6-3-2-5-17(19)13-20(22(21)35)23(36)29-18-9-7-16(14-34)8-10-18;1-26-18-13-30-34(24-27-9-4-10-28-24)22(18)33-32-20-16-6-3-2-5-14(16)11-17(21(20)35)23(36)31-15-7-8-19(25)29-12-15;1-22-16(13(9-19-22)18(25)27-3)21-20-14-11-7-5-4-6-10(11)8-12(15(14)23)17(24)26-2;1-22-16(11(7-19-22)15(18)25)21-20-12-9-5-3-2-4-8(9)6-10(13(12)23)14(17)24/h3-13,34-35H,14H2,1H3,(H,29,36);2-13,34-35H,14H2,1H3,(H,29,36);2-13,35H,(H,31,36);4-9,23H,1-3H3;2-7,23H,1H3,(H2,17,24)(H2,18,25)/b2*31-30+;33-32+;2*21-20+.

What are the key properties of 5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate?

5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 2192.60 g/mol, XLogP of 21.54, 25 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-carbamoyl-2-hydroxynaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxamide;N-(6-chloro-3-pyridinyl)-3-hydroxy-4-[(4-isocyano-1-pyrimidin-2-ylpyrazol-5-yl)diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[[4-isocyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]diazenyl]naphthalene-2-carboxamide;3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-[(5-methyl-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)diazenyl]naphthalene-2-carboxamide;methyl 5-[(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)diazenyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 162177777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).