102236 <common-name>Sodium 2,3-dihydro-a-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulphonate</common-name> <description>Sodium 2,3-dihydro-a-hydroxy-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulphonate belongs to the pyrazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C12H14N2O5S and an average molecular weight of 320.29 g/mol.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C12H14N2O5S</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">2026-04-05T09:20:49Z</created-at> <updated-at type="dateTime">2026-04-05T09:20:49Z</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>[Na+].CN1N(C(=O)C(C(O)S([O-])(=O)=O)=C1C)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C12H14N2O5S</moldb-formula> <moldb-inchi>InChI=1/C12H14N2O5S.Na/c1-8-10(12(16)20(17,18)19)11(15)14(13(8)2)9-6-4-3-5-7-9;/h3-7,12,16H,1-2H3,(H,17,18,19);/q;+1/p-1</moldb-inchi> <moldb-inchikey>QSWGFQRUXYZFIS-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">320.29</moldb-average-mass> <moldb-mono-mass type="decimal">298.0623425</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>CHEM098129</chemdb-id> <dsstox-id>DTXSID10916527</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00065641</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>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Pyrazoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0115039</sync-id> <structure-inchikey>QSWGFQRUXYZFIS-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>40000000000000100010000000000000000000000000000000000000100000000000001000000020010000020002000004000000000200000000000000000080000000000000000000000000000000000020000000000000001000000000200000000000014000000000000000000100000000000100000000000000000000000000004040000000800000000000004000000000000100040000100000000000000000040000000000000000080000000000000020000008080000000000000000000000000000000000002000000000000000000000002000000200020000000000000040000000000040000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFQAAAIABCyAKAAAAAQEGAGAAAAAB AwdAKAAAAAMDB0AoAAAAAwMGQCgAAAADBAgAKAAAAAMCBkAoAAAAAwQGAGAA AAADAQgAYAAAAAEBEAAgAAAABgggIgAAAP8BCAAoAAAAAwIIACgAAAADAgZA KAAAAAMEBgBgAAAAAQMGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAA AAMDAQZAaAAAAAMDAQZAaAAAAAMDAQsBAgACA2gMAwRoDAQFKAIEBmgMBgcA BwgABwkACQoACQsIAgkMCAIGDWgMDQ4AAw8gDxBoDBARaAwREmgMEhNoDBMU aAwNAmgMFA9oDEICAAAABQIDBAYNBhAREhMUDxcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:40:18Z</structure-indexed-at> </compound>