346136 <common-name>(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 1,3-benzodioxole-5-carboxylate</common-name> <description>(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 1,3-benzodioxole-5-carboxylate is a chemical compound with the formula C27H24N2O5. It has an average molecular weight of 456.50 g/mol.</description> <cas nil="true"/> <pubchem-id>55755</pubchem-id> <chemical-formula>C27H24N2O5</chemical-formula> <weight>456.5</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">2026-08-31T09:28:40Z</created-at> <updated-at type="dateTime">2026-08-31T09:28:40Z</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>CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC5=C(C=C4)OCO5</moldb-smiles> <moldb-formula>C27H24N2O5</moldb-formula> <moldb-inchi>InChI=1S/C27H24N2O5/c1-2-3-14-22-25(30)28(20-10-6-4-7-11-20)29(21-12-8-5-9-13-21)26(22)34-27(31)19-15-16-23-24(17-19)33-18-32-23/h4-13,15-17H,2-3,14,18H2,1H3</moldb-inchi> <moldb-inchikey>RMPOBZVILCTPIS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">456.1685219</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.5</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>CHEM342029</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>(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 1,3-benzodioxole-5-carboxylate</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>Organoheterocyclic compounds</superklass> <klass>Azoles</klass> <subklass>Pyrazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296489</sync-id> <structure-inchikey>RMPOBZVILCTPIS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000020000000040000000000000000800000000000000010002000020010000200002020004000000000000400000040000000080000000000000000000010000000000020020800000000100000000002000000000000020010000000000000000100000008000020100000000010000000000000010004040000000800000000000000000000000000100000000001000000000000000000000000004000000084000000000000000000000000000000000000000000000000000000004000000010000000000004000002040000200000000000080000040000000010040000000410440000000000000000000000000002000</structure-fingerprint> 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