92866 <common-name>N-(1-(6-chloro-2,4-xylyl)-5-oxo-2-pyrazolin-3-yl)-2-(3-pentadecylphenoxy)butyramide</common-name> <description>N-(1-(6-chloro-2,4-xylyl)-5-oxo-2-pyrazolin-3-yl)-2-(3-pentadecylphenoxy)butyramide belongs to the phenol ethers, a class of benzenoids within the organic compounds. With an average molecular weight of 610.28 g/mol, N-(1-(6-chloro-2,4-xylyl)-5-oxo-2-pyrazolin-3-yl)-2-(3-pentadecylphenoxy)butyramide is a heavy molecule. Its chemical formula is C36H52ClN3O3.</description> <cas>33956-01-3</cas> <pubchem-id>118121</pubchem-id> <chemical-formula>C36H52ClN3O3</chemical-formula> <weight>610.3</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">2026-04-05T01:48:50Z</created-at> <updated-at type="dateTime">2026-08-31T21:32:43Z</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>CCCCCCCCCCCCCCCC1=CC=CC(OC(CC)C(=O)N=C2CC(=O)N(N2)C2=C(Cl)C=C(C)C=C2C)=C1</moldb-smiles> <moldb-formula>C36H52ClN3O3</moldb-formula> <moldb-inchi>InChI=1/C36H52ClN3O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-29-21-19-22-30(25-29)43-32(6-2)36(42)38-33-26-34(41)40(39-33)35-28(4)23-27(3)24-31(35)37/h19,21-25,32H,5-18,20,26H2,1-4H3,(H,38,39,42)</moldb-inchi> <moldb-inchikey>YVJFRAPRCAGGMR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">610.28</moldb-average-mass> <moldb-mono-mass type="decimal">609.3697202</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>12.4</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>CHEM088759</chemdb-id> <dsstox-id>DTXSID60865697</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00054352</susdat-id> <iupac>N-[1-(2-chloro-4,6-dimethylphenyl)-5-oxo-4H-pyrazol-3-yl]-2-(3-pentadecylphenoxy)butanamide</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>Phenol ethers</klass> <subklass nil="true"/> <paper-count type="integer">0</paper-count> <sync-id>CED0163344</sync-id> <structure-inchikey>YVJFRAPRCAGGMR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>400000020000000000008000008000000000200000000000000800000000000400000080020000202000000000020000000000000000008000000000000000000000040000016000400100000000000080200080000001000000040000000140000800220300024000000000001000000004000201000000000020000000000000010000c0200000800000200000010000000000810000000000001000000000000000000000040000000000080100000000000008000000000000080000000000800008000000000000000010000000000010000000002000000220000000000000000100000000000040000000012400000000400000000000000000000000</structure-fingerprint> 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