disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one

C27H24CrN10Na2O11S+2 — CID 170840604

About disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one

disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one (PubChem CID 170840604) has the molecular formula C27H24CrN10Na2O11S+2 and a molecular weight of 794.59 g/mol. Its IUPAC name is disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one.

Molecular Properties

• Compound Name: disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one
• PubChem CID: 170840604
• Molecular Formula: C27H24CrN10Na2O11S+2
• Molecular Weight: 794.59 g/mol
• Exact Mass: 794.05
• IUPAC Name: disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one
• SMILES: CC1N=NC(=O)C1=NNc1ccc([N+](=O)[O-])cc1O.Cc1ccc(-n2[nH]c(C)c(/N=N/c3cc(S(=O)(=O)O)cc([N+](=O)[O-])c3O)c2=O)cc1.[Cr].[Na+].[Na+]
• InChI: InChI=1S/C17H15N5O7S.C10H9N5O4.Cr.2Na/c1-9-3-5-11(6-4-9)21-17(24)15(10(2)20-21)19-18-13-7-12(30(27,28)29)8-14(16(13)23)22(25)26;1-5-9(10(17)14-11-5)13-12-7-3-2-6(15(18)19)4-8(7)16;;;/h3-8,20,23H,1-2H3,(H,27,28,29);2-5,12,16H,1H3;;;/q;;;2*+1/b19-18+
• InChIKey: ZPGJUQSOEOGTMD-UJWNJGKXSA-N
• XLogP: -1.49
• TPSA: 309.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.59
LogP ≤ 5	-1.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one?

The IUPAC name of disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one (CID 170840604) is disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one.

What is the SMILES notation for disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one?

The canonical SMILES for disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one is CC1N=NC(=O)C1=NNc1ccc([N+](=O)[O-])cc1O.Cc1ccc(-n2[nH]c(C)c(/N=N/c3cc(S(=O)(=O)O)cc([N+](=O)[O-])c3O)c2=O)cc1.[Cr].[Na+].[Na+].

What is the InChIKey of disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one?

The InChIKey is ZPGJUQSOEOGTMD-UJWNJGKXSA-N. The full InChI is InChI=1S/C17H15N5O7S.C10H9N5O4.Cr.2Na/c1-9-3-5-11(6-4-9)21-17(24)15(10(2)20-21)19-18-13-7-12(30(27,28)29)8-14(16(13)23)22(25)26;1-5-9(10(17)14-11-5)13-12-7-3-2-6(15(18)19)4-8(7)16;;;/h3-8,20,23H,1-2H3,(H,27,28,29);2-5,12,16H,1H3;;;/q;;;2*+1/b19-18+;;;;.

What are the key properties of disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one?

disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one has a molecular weight of 794.59 g/mol, XLogP of -1.49, 8 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;chromium;4-hydroxy-3-[[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid;4-[(2-hydroxy-4-nitrophenyl)hydrazinylidene]-3-methyl-3H-pyrazol-5-one is sourced from PubChem (CID 170840604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).