94138 <common-name>3-[(4,5-Dihydro-5-oxo-1,3-diphenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonic acid</common-name> <description>3-[(4,5-Dihydro-5-oxo-1,3-diphenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonic acid belongs to the nitrophenols, a subclass of phenols within the organic compounds. This benzenoid compound has the chemical formula C21H16N5O7S and an average molecular weight of 481.44 g/mol.</description> <cas>64743-14-2</cas> <pubchem-id>135853586</pubchem-id> <chemical-formula>C21H16N5O7S</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T02:32:03Z</created-at> <updated-at type="dateTime">2026-04-05T02:32:03Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>OC1=C(C=C(C=C1S(O)(=O)=O)[N+]([O-])=O)N=NC1C(=O)N(N=C1C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C21H16N5O7S</moldb-formula> <moldb-inchi>InChI=1/C21H15N5O7S/c27-20-16(11-15(26(29)30)12-17(20)34(31,32)33)22-23-19-18(13-7-3-1-4-8-13)24-25(21(19)28)14-9-5-2-6-10-14/h1-12,19,27H,(H,31,32,33)</moldb-inchi> <moldb-inchikey>YSPMRORHTQVGCD-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">481.44</moldb-average-mass> <moldb-mono-mass type="decimal">482.0770439</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM090031</chemdb-id> <dsstox-id>DTXSID40886325</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00055872</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Phenols</klass> <subklass>Nitrophenols</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0159614</sync-id> <structure-inchikey>YSPMRORHTQVGCD-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4002000000000000000000000000000000000000000000100a00000001000000000000000000020000008020000002004800000000000000800000000000000080000008008000000008000000020000020000004000000001004008000400000000000010040000a00000000180000400000001100000000000000000000100000004000000000800000000000000000800000001100000000000000000022100000000000000000000000080800000000000000000000080000000000000000000000000000002000000000000000000000000000000000000200000000000000400040000000000040000000000100000000401000000000001000000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������"���%���€���h�������@(������@(������@h�������@(������@h�������@(������� ������`�������(�������(������ *������� *���ÿ����(�������(�������(�������`�������(�������(�������(�������(�������(������@(������@h�������@h�������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@h��������� ��h���h���h���h���h�������� ��� ���� �� � (��� ��(���������(��� �� ��(��� ��h���h���h���h���h��� ��h���h���h�� h� !h���h������h�!�h�B���������������������������� !�����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:35:34Z</structure-indexed-at> </compound>