326664 <common-name>N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-iodo-n-propan-2-ylbenzamide</common-name> <description>N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-iodo-n-propan-2-ylbenzamide is a chemical compound with the formula C21H22IN3O2. It has an average molecular weight of 475.30 g/mol.</description> <cas>81217-11-0</cas> <pubchem-id>54717</pubchem-id> <chemical-formula>C21H22IN3O2</chemical-formula> <weight>475.3</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">2026-08-30T05:05:56Z</created-at> <updated-at type="dateTime">2026-08-30T05:05:56Z</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=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(C)C)C(=O)C3=CC=C(C=C3)I</moldb-smiles> <moldb-formula>C21H22IN3O2</moldb-formula> <moldb-inchi>InChI=1S/C21H22IN3O2/c1-14(2)24(20(26)16-10-12-17(22)13-11-16)19-15(3)23(4)25(21(19)27)18-8-6-5-7-9-18/h5-14H,1-4H3</moldb-inchi> <moldb-inchikey>TZLFDRYOKPGXMU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">475.07567</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM322557</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>N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-iodo-n-propan-2-ylbenzamide</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>CED0277281</sync-id> <structure-inchikey>TZLFDRYOKPGXMU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000010000000000000000000000000000000000000100000000000001000000020010000000002000004000100000200000000000000000180000000000000000000100000000000000020040000400000000000000000000000000000010000000000000000004000000000000100100000000000000000000000004040000000800000000000004000000000000100000400100000000000000000000000000004000000084000000000000000000000080002800000000000000000000000200000000000020000000000004000002000000200020000000000000040000000800040000000000400000000000000004000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@(������@(�������(������@(������@(�������`������@(������@h�������@h�������@h�������@h�������@h��������(�������`�������`�������`�������(�������(������@(������@h�������@h�������@(������@h�������@h������5� ����������h���h���(���h���h������ � h� h� �h���h�� h��� ����������� ��(��� ��h���h���h���h���h������h� �h���h�B����������� �� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:15Z</structure-indexed-at> </compound>