chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate

C33H25CrN10O11S — CID 165360830

About chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate

chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate (PubChem CID 165360830) has the molecular formula C33H25CrN10O11S and a molecular weight of 821.69 g/mol. Its IUPAC name is chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate.

Molecular Properties

• Compound Name: chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate
• PubChem CID: 165360830
• Molecular Formula: C33H25CrN10O11S
• Molecular Weight: 821.69 g/mol
• Exact Mass: 821.08
• IUPAC Name: chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate
• SMILES: Cc1[n-]n(-c2ccccc2)c(=O)c1/N=N/c1cc([N+](=O)[O-])ccc1[O-].Cc1cc(/N=N/c2c(C)[n-]n(-c3ccc(S(=O)(=O)[O-])cc3)c2=O)c([O-])c([N+](=O)[O-])c1.[Cr+3].[H+].[H+]
• InChI: InChI=1S/C17H15N5O7S.C16H13N5O4.Cr/c1-9-7-13(16(23)14(8-9)22(25)26)18-19-15-10(2)20-21(17(15)24)11-3-5-12(6-4-11)30(27,28)29;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;/h3-8H,1-2H3,(H3,18,19,20,23,24,27,28,29);2-9H,1H3,(H2,17,18,19,22,23);/q;;+3/p-3
• InChIKey: VDBHBSUHQZFDIT-UHFFFAOYSA-K
• XLogP: 4.44
• TPSA: 311.24 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	821.69
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate?

The IUPAC name of chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate (CID 165360830) is chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate.

What is the SMILES notation for chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate?

The canonical SMILES for chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate is Cc1[n-]n(-c2ccccc2)c(=O)c1/N=N/c1cc([N+](=O)[O-])ccc1[O-].Cc1cc(/N=N/c2c(C)[n-]n(-c3ccc(S(=O)(=O)[O-])cc3)c2=O)c([O-])c([N+](=O)[O-])c1.[Cr+3].[H+].[H+].

What is the InChIKey of chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate?

The InChIKey is VDBHBSUHQZFDIT-UHFFFAOYSA-K. The full InChI is InChI=1S/C17H15N5O7S.C16H13N5O4.Cr/c1-9-7-13(16(23)14(8-9)22(25)26)18-19-15-10(2)20-21(17(15)24)11-3-5-12(6-4-11)30(27,28)29;1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22;/h3-8H,1-2H3,(H3,18,19,20,23,24,27,28,29);2-9H,1H3,(H2,17,18,19,22,23);/q;;+3/p-3.

What are the key properties of chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate?

chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate has a molecular weight of 821.69 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for chromium(3+);hydron;4-[3-methyl-4-[(5-methyl-3-nitro-2-oxidophenyl)diazenyl]-5-oxopyrazol-2-id-1-yl]benzenesulfonate;2-[(3-methyl-5-oxo-1-phenylpyrazol-2-id-4-yl)diazenyl]-4-nitrophenolate is sourced from PubChem (CID 165360830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).