<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">305920</id>
  <title nil="true"/>
  <common-name>[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol</common-name>
  <description>[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol belongs to the pyrazoles, a subclass of azoles within the organic compounds. It is classified as an organoheterocyclic compound with the formula C17H15FN2O2 and an average molecular weight of 298.31 g/mol.</description>
  <cas>618383-20-3</cas>
  <pubchem-id>3840017</pubchem-id>
  <chemical-formula>C17H15FN2O2</chemical-formula>
  <weight>298.31</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">2026-08-28T23:37:27Z</created-at>
  <updated-at type="dateTime">2026-08-28T23:37:27Z</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>COC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC=CC=C3F</moldb-smiles>
  <moldb-formula>C17H15FN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H15FN2O2/c1-22-14-8-6-12(7-9-14)17-13(11-21)10-20(19-17)16-5-3-2-4-15(16)18/h2-10,21H,11H2,1H3</moldb-inchi>
  <moldb-inchikey>XKMVFOQGRBADKI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">298.1117559</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.7</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>CHEM301813</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-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol</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">1</paper-count>
  <sync-id>CED0056543</sync-id>
  <structure-inchikey>XKMVFOQGRBADKI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000002000000000000000000000000300000000000002000020000000000000000810000000000000000000000000000020000002000000000000000000110000200000000000000040000010000010440000000000000800000000100000000000000000000000080000040000000800000000000000200800000000100000000000000000000000100000000000004000000080000000000000000010000000200000000000080000000048000000000000000010000000000000000000000000200000000000000000000008000000040000000000000804000080000000000000000000000</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�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:14:37Z</structure-indexed-at>
</compound>
