305419 <common-name>[5-amino-1-(3-chlorophenyl)pyrazol-4-yl]-(3-methylphenyl)methanone</common-name> <description>[5-amino-1-(3-chlorophenyl)pyrazol-4-yl]-(3-methylphenyl)methanone belongs to the benzoyl derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C17H14ClN3O and an average molecular weight of 311.80 g/mol.</description> <cas>618091-58-0</cas> <pubchem-id>4103603</pubchem-id> <chemical-formula>C17H14ClN3O</chemical-formula> <weight>311.8</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">2026-08-28T22:59:26Z</created-at> <updated-at type="dateTime">2026-08-28T22:59:26Z</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>CC1=CC(=CC=C1)C(=O)C2=C(N(N=C2)C3=CC(=CC=C3)Cl)N</moldb-smiles> <moldb-formula>C17H14ClN3O</moldb-formula> <moldb-inchi>InChI=1S/C17H14ClN3O/c1-11-4-2-5-12(8-11)16(22)15-10-20-21(17(15)19)14-7-3-6-13(18)9-14/h2-10H,19H2,1H3</moldb-inchi> <moldb-inchikey>MVLJXPSDSAZBHG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">311.0825398</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.4</logp> <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>CHEM301312</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[5-amino-1-(3-chlorophenyl)pyrazol-4-yl]-(3-methylphenyl)methanone</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>Benzoyl derivatives</subklass> <paper-count type="integer">6</paper-count> <sync-id>CED0039453</sync-id> <structure-inchikey>MVLJXPSDSAZBHG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000010000000000000000000000000000004000000000000c000000000000004000000000000000000000000200000000000000000000000000000000000000000000040000000a000000000000020000000000000000000000000000000000000010000000400000000100000000000000100010000000000000004000001004140000000800000000000040000001000000000000000040000000000000000000000000000000000084000000000020000004000000000000000000100000000000000000000000000000000000010000000002000100200000000000000000140000008000040010000000400000000000000004100000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAWAAAAGAAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkBoAAAAAwMB BgAoAAAAAwQIACgAAAADAgZAKAAAAAMEBkAoAAAAAwQHQCgAAAADAwdAKAAA AAMDBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMD AQZAaAAAAAMDAQZAaAAAAAMDAREAIAAAAAEHAGgAAAADAQILAAEAAQJoDAID aAwDBGgMBAVoDAUGaAwDByAHCCgCBwkgCQpoDAoLaAwLDGgMDA1oDAsOIA4P aAwPEGgMEBFoDBESaAwSE2gMEBQAChUgBgFoDA0JaAwTDmgMQgMAAAAGAQYF BAMCBQoJDQwLBg8QERITDhcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:14:10Z</structure-indexed-at> </compound>