2,4-Dihydro-4-[[2-hydroxy-5-(methylsulphonyl)-4-nitrophenyl]azo]-5-methyl-2-phenyl-3H-pyrazol-3-one (CHEM091477)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 03:28:03 UTC | ||||||||
| Update Date | 2026-08-28 23:47:11 UTC | ||||||||
| Accession Number | CHEM091477 | ||||||||
| Identification | |||||||||
| Common Name | 2,4-Dihydro-4-[[2-hydroxy-5-(methylsulphonyl)-4-nitrophenyl]azo]-5-methyl-2-phenyl-3H-pyrazol-3-one | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2,4-Dihydro-4-[[2-hydroxy-5-(methylsulphonyl)-4-nitrophenyl]azo]-5-methyl-2-phenyl-3H-pyrazol-3-one belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the formula C17H16N5O6S and an average molecular weight of 417.40 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C17H16N5O6S | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 418.082 g/mol | ||||||||
| CAS Registry Number | 35954-29-1 | ||||||||
| IUPAC Name | 4-[(2-hydroxy-5-methylsulfonyl-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2O)[N+](=O)[O-])S(=O)(=O)C)C3=CC=CC=C3 | ||||||||
| InChI Identifier | InChI=1/C17H15N5O6S/c1-10-16(17(24)21(20-10)11-6-4-3-5-7-11)19-18-12-8-15(29(2,27)28)13(22(25)26)9-14(12)23/h3-9,16,23H,1-2H3 | ||||||||
| InChI Key | MOWONGIRBKAENJ-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
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| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
