sodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid

C27H24ClCrN9NaO9S+ — CID 159448121

IUPACsodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid
SMILESCc1ccc(-n2nc(C)c(/N=N/c3cc(S(=O)(=O)O)cc([N+](=O)[O-])c3O)c2O)cc1.Cc1n[nH]c(O)c1/N=N/c1cc(Cl)ccc1O.[Cr].[Na+]
InChIInChI=1S/C17H15N5O7S.C10H9ClN4O2.Cr.Na/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)15-12-5)14-13-7-4-6(11)2-3-8(7)16;;/h3-8,23-24H,1-2H3,(H,27,28,29);2-4,16H,1H3,(H2,12,15,17);;/q;;;+1/b19-18+;14-13+;;
InChIKeyRDVNRVMSQZINMR-HVERRFRTSA-N
MW761.05 g/mol
LogP3.67
Rot. Bonds7

About sodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid

sodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid (PubChem CID 159448121) has the molecular formula C27H24ClCrN9NaO9S+ and a molecular weight of 761.05 g/mol. Its IUPAC name is sodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid.

Molecular Properties

Compound Namesodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid
PubChem CID159448121
Molecular FormulaC27H24ClCrN9NaO9S+
Molecular Weight761.05 g/mol
Exact Mass760.04
IUPAC Namesodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid
SMILESCc1ccc(-n2nc(C)c(/N=N/c3cc(S(=O)(=O)O)cc([N+](=O)[O-])c3O)c2O)cc1.Cc1n[nH]c(O)c1/N=N/c1cc(Cl)ccc1O.[Cr].[Na+]
InChIInChI=1S/C17H15N5O7S.C10H9ClN4O2.Cr.Na/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)15-12-5)14-13-7-4-6(11)2-3-8(7)16;;/h3-8,23-24H,1-2H3,(H,27,28,29);2-4,16H,1H3,(H2,12,15,17);;/q;;;+1/b19-18+;14-13+;;
InChIKeyRDVNRVMSQZINMR-HVERRFRTSA-N
XLogP3.67
TPSA274.37 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500761.05
LogP ≤ 53.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

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'}

Analyze sodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid with MolForge

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Related Compounds

sodium;bis(3-[[1-(3-chlorophenyl)-5-hydroxy-3-methylpyrazol-4-yl]diazenyl]-4-hydroxy-N-methylbenzenesulfonamide);cobalt(3+)
CID 156599318
azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium
CID 137314742
sodium;chromium;4-hydroxy-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-id-4-yl)diazenyl]-5-nitrobenzenesulfonic acid;hydrate
CID 71301372
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
4-[[4-[4-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-3-methyl-1-(4-methylphenyl)pyrazol-5-ol
CID 135565459
chromium(3+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfophenolate;3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
CID 170854049
chromium(3+);1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-(4-sulfophenyl)pyrazol-5-olate
CID 170854018
4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
CID 136857527
chromium(3+);2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-sulfophenolate;3-methyl-4-[(4-nitro-2-oxidophenyl)diazenyl]-1-phenylpyrazol-5-olate
CID 170854051
cobalt;bis(4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-(4-nitrophenyl)pyrazol-5-ol)
CID 170525033
disodium;7-[[2-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-4-oxidophenyl]diazenyl]-2-[(4-nitrophenyl)diazenyl]-3-sulfonaphthalen-1-olate
CID 170843316
3-[(5-chloro-2-hydroxy-3-nitrophenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 135727413

Frequently Asked Questions

What is the IUPAC name of sodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid?
The IUPAC name of sodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid (CID 159448121) is sodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid.
What is the SMILES notation for sodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid?
The canonical SMILES for sodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid is Cc1ccc(-n2nc(C)c(/N=N/c3cc(S(=O)(=O)O)cc([N+](=O)[O-])c3O)c2O)cc1.Cc1n[nH]c(O)c1/N=N/c1cc(Cl)ccc1O.[Cr].[Na+].
What is the InChIKey of sodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid?
The InChIKey is RDVNRVMSQZINMR-HVERRFRTSA-N. The full InChI is InChI=1S/C17H15N5O7S.C10H9ClN4O2.Cr.Na/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)15-12-5)14-13-7-4-6(11)2-3-8(7)16;;/h3-8,23-24H,1-2H3,(H,27,28,29);2-4,16H,1H3,(H2,12,15,17);;/q;;;+1/b19-18+;14-13+;;.
What are the key properties of sodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid?
sodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid has a molecular weight of 761.05 g/mol, XLogP of 3.67, 7 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-methyl-1H-pyrazol-5-ol;chromium;4-hydroxy-3-[[5-hydroxy-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]diazenyl]-5-nitrobenzenesulfonic acid is sourced from PubChem (CID 159448121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).