chromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one)

C32H26CrN10O8 — CID 155660429

IUPACchromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one)
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1O.Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1O.[Cr]
InChIInChI=1S/2C16H13N5O4.Cr/c2*1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-8-7-12(21(24)25)9-14(13)22;/h2*2-9,19,22H,1H3;/b2*18-17+;
InChIKeyQLEAJFWCIVQNDA-IVYOCVIQSA-N
MW730.62 g/mol
LogP7.00
Rot. Bonds8

About chromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one)

chromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one) (PubChem CID 155660429) has the molecular formula C32H26CrN10O8 and a molecular weight of 730.62 g/mol. Its IUPAC name is chromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one).

Molecular Properties

Compound Namechromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one)
PubChem CID155660429
Molecular FormulaC32H26CrN10O8
Molecular Weight730.62 g/mol
Exact Mass730.13
IUPAC Namechromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one)
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1O.Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1O.[Cr]
InChIInChI=1S/2C16H13N5O4.Cr/c2*1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-8-7-12(21(24)25)9-14(13)22;/h2*2-9,19,22H,1H3;/b2*18-17+;
InChIKeyQLEAJFWCIVQNDA-IVYOCVIQSA-N
XLogP7.00
TPSA251.76 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500730.62
LogP ≤ 57.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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'}

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Frequently Asked Questions

What is the IUPAC name of chromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one)?
The IUPAC name of chromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one) (CID 155660429) is chromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one).
What is the SMILES notation for chromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one)?
The canonical SMILES for chromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one) is Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1O.Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc([N+](=O)[O-])cc1O.[Cr].
What is the InChIKey of chromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one)?
The InChIKey is QLEAJFWCIVQNDA-IVYOCVIQSA-N. The full InChI is InChI=1S/2C16H13N5O4.Cr/c2*1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-8-7-12(21(24)25)9-14(13)22;/h2*2-9,19,22H,1H3;/b2*18-17+;.
What are the key properties of chromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one)?
chromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one) has a molecular weight of 730.62 g/mol, XLogP of 7.00, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;bis(4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one) is sourced from PubChem (CID 155660429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).