azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium

C34H34Cl2CrN9O8S2+ — CID 137314742

IUPACazanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium
SMILESCc1nn(-c2cccc(Cl)c2)c(O)c1/N=N\c1cc(S(C)(=O)=O)ccc1O.Cc1nn(-c2cccc(Cl)c2)c(O)c1/N=N\c1cc(S(C)(=O)=O)ccc1O.[Cr].[NH4+]
InChIInChI=1S/2C17H15ClN4O4S.Cr.H3N/c2*1-10-16(17(24)22(21-10)12-5-3-4-11(18)8-12)20-19-14-9-13(27(2,25)26)6-7-15(14)23;;/h2*3-9,23-24H,1-2H3;;1H3/p+1/b2*20-19-;;
InChIKeyYXEQGRIVRMPZGL-OLCHXKFDSA-O
MW883.74 g/mol
LogP8.50
Rot. Bonds8

About azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium

azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium (PubChem CID 137314742) has the molecular formula C34H34Cl2CrN9O8S2+ and a molecular weight of 883.74 g/mol. Its IUPAC name is azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium.

Molecular Properties

Compound Nameazanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium
PubChem CID137314742
Molecular FormulaC34H34Cl2CrN9O8S2+
Molecular Weight883.74 g/mol
Exact Mass882.07
IUPAC Nameazanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium
SMILESCc1nn(-c2cccc(Cl)c2)c(O)c1/N=N\c1cc(S(C)(=O)=O)ccc1O.Cc1nn(-c2cccc(Cl)c2)c(O)c1/N=N\c1cc(S(C)(=O)=O)ccc1O.[Cr].[NH4+]
InChIInChI=1S/2C17H15ClN4O4S.Cr.H3N/c2*1-10-16(17(24)22(21-10)12-5-3-4-11(18)8-12)20-19-14-9-13(27(2,25)26)6-7-15(14)23;;/h2*3-9,23-24H,1-2H3;;1H3/p+1/b2*20-19-;;
InChIKeyYXEQGRIVRMPZGL-OLCHXKFDSA-O
XLogP8.50
TPSA270.78 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500883.74
LogP ≤ 58.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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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
azane;2-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-5-methyl-1H-pyrazol-3-one;2-[[2-(3-chlorophenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-4-methylsulfonylphenolate;chromium(3+)
CID 170854481
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
bis(1-(2-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methylpyrazol-5-ol);chromium
CID 170524914
bis(2-[[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-2-id-4-yl]diazenyl]-4-methylsulfonylphenolate);cobalt(3+)
CID 164940728
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
cobalt;bis(4-[(2-hydroxy-5-methylsulfonylphenyl)iminomethyl]-3-methyl-1-(4-nitrophenyl)pyrazol-5-ol)
CID 170525033
2-[[5-amino-3-methyl-1-(3-sulfophenyl)pyrazol-4-yl]diazenyl]benzenesulfonic acid
CID 136795257
5-chloro-1-(3-chlorophenyl)-3,4-dimethylpyrazole
CID 66021982
disodium;5-chloro-3-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-2-oxidobenzenesulfonate;chromium;hydroxide
CID 22913
[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;bis(2-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-5-methylpyrazol-4-id-3-one);chromium;hydron
CID 91808931
[4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2,5-dichlorophenyl]methanesulfonic acid
CID 157273292

Frequently Asked Questions

What is the IUPAC name of azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium?
The IUPAC name of azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium (CID 137314742) is azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium.
What is the SMILES notation for azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium?
The canonical SMILES for azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium is Cc1nn(-c2cccc(Cl)c2)c(O)c1/N=N\c1cc(S(C)(=O)=O)ccc1O.Cc1nn(-c2cccc(Cl)c2)c(O)c1/N=N\c1cc(S(C)(=O)=O)ccc1O.[Cr].[NH4+].
What is the InChIKey of azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium?
The InChIKey is YXEQGRIVRMPZGL-OLCHXKFDSA-O. The full InChI is InChI=1S/2C17H15ClN4O4S.Cr.H3N/c2*1-10-16(17(24)22(21-10)12-5-3-4-11(18)8-12)20-19-14-9-13(27(2,25)26)6-7-15(14)23;;/h2*3-9,23-24H,1-2H3;;1H3/p+1/b2*20-19-;;.
What are the key properties of azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium?
azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium has a molecular weight of 883.74 g/mol, XLogP of 8.50, 8 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;bis(1-(3-chlorophenyl)-4-[(2-hydroxy-5-methylsulfonylphenyl)diazenyl]-3-methylpyrazol-5-ol);chromium is sourced from PubChem (CID 137314742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).