73942 <common-name>3H-Pyrazol-3-one, 2-(4-aminophenyl)-5-ethoxy-2,4-dihydro-</common-name> <description>3H-Pyrazol-3-one, 2-(4-aminophenyl)-5-ethoxy-2,4-dihydro- belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds. It has the chemical formula C11H13N3O2 and an average molecular weight of 219.24 g/mol. This compound is further classified under the superclass of benzenoids.</description> <cas>4105-91-3</cas> <pubchem-id>77747</pubchem-id> <chemical-formula>C11H13N3O2</chemical-formula> <weight>219.24</weight> <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">2026-04-04T00:54:48Z</created-at> <updated-at type="dateTime">2026-08-18T09:30:42Z</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>CCOC1=NN(C(=O)C1)C1=CC=C(N)C=C1</moldb-smiles> <moldb-formula>C11H13N3O2</moldb-formula> <moldb-inchi>InChI=1S/C11H13N3O2/c1-2-16-10-7-11(15)14(13-10)9-5-3-8(12)4-6-9/h3-6H,2,7,12H2,1H3</moldb-inchi> <moldb-inchikey>IZFXFWHTVIURLG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">219.244</moldb-average-mass> <moldb-mono-mass type="decimal">219.100777</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>70146</chemspider-id> <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>CHEM069835</chemdb-id> <dsstox-id>DTXSID6063303</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00030912</susdat-id> <iupac>2-(4-aminophenyl)-5-ethoxy-4H-pyrazol-3-one</iupac> <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>Benzene and substituted derivatives</klass> <subklass>Aniline and substituted anilines</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0172553</sync-id> <structure-inchikey>IZFXFWHTVIURLG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000100000000005400000000000002000020000000000000002000000000000000000000000000000000000000000000000004000000000000800020000000000100000000000000000000000002000000000000000000000080000000020100000000000000000000000000000040000000000000000000000000019000000080000000020000000000000000000000000000100000080000000000000000084000000000000000000000000008000000000000000000000000000000000400000000000200000000000008000040000000000040000000000000000000400000000000000020000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQHACgAAAADAwcAKAAAAAMDBgAoAAAAAwQIACgA AAADAgYAYAAAAAICBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAAD BAcAaAAAAAMBAgZAaAAAAAMDAQZAaAAAAAMDAQsAAQABAgACAyADBCgCBAUg BQYgBgcoAgYIAAUJIAkKaAwKC2gMCwxoDAwNIAwOaAwOD2gMCAMADwloDEIC AAAABQMEBQYIBgoLDA4PCRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:22:32Z</structure-indexed-at> </compound>