313811 <common-name>1-(tert-butylamino)-3-[4-chloro-2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol</common-name> <description>1-(tert-butylamino)-3-[4-chloro-2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol is a compound with the formula C18H24ClN3O2. It has an average molecular weight of 349.90 g/mol.</description> <cas nil="true"/> <pubchem-id>3069770</pubchem-id> <chemical-formula>C18H24ClN3O2</chemical-formula> <weight>349.9</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">2026-08-29T10:40:39Z</created-at> <updated-at type="dateTime">2026-08-29T10:40:39Z</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>CC(C)(C)NCC(COC1=C(C=C(C=C1)Cl)C(=C)N2C=CC=N2)O</moldb-smiles> <moldb-formula>C18H24ClN3O2</moldb-formula> <moldb-inchi>InChI=1S/C18H24ClN3O2/c1-13(22-9-5-8-21-22)16-10-14(19)6-7-17(16)24-12-15(23)11-20-18(2,3)4/h5-10,15,20,23H,1,11-12H2,2-4H3</moldb-inchi> <moldb-inchikey>RKRUKHATWVFPND-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">349.1557047</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM309704</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>1-(tert-butylamino)-3-[4-chloro-2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol</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" nil="true"/> <sync-id>CED0264710</sync-id> <structure-inchikey>RKRUKHATWVFPND-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000001000000014804200002200000000000c00000000000080100000000000000000000000000000008000002000800000000200000000000000000820001000000000400000000012000020000000200000000100000000000000000000000000010080000010000000100000000000000100010000000000000000020000000041000000800400000040000080000000000000000000000000000000000000000000000000400200080000000000000100080000000000000000000000000000002000000000000000000000000010000000000000000200000000000000000000000000002040000000000000000000000020000100000000000200</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������`�������`�������(������@(������@(������@h�������@(������@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">2026-09-19T05:20:23Z</structure-indexed-at> </compound>