<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">297253</id>
  <title nil="true"/>
  <common-name>Ethyl 5-[(dimethylamino)methyl]-1-phenylpyrazole-4-carboxylate</common-name>
  <description>Ethyl 5-[(dimethylamino)methyl]-1-phenylpyrazole-4-carboxylate belongs to the pyrazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the formula C15H19N3O2 and an average molecular weight of 273.33 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>24844209</pubchem-id>
  <chemical-formula>C15H19N3O2</chemical-formula>
  <weight>273.33</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">2026-08-28T13:29:15Z</created-at>
  <updated-at type="dateTime">2026-08-28T13:29:15Z</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>CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)CN(C)C</moldb-smiles>
  <moldb-formula>C15H19N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H19N3O2/c1-4-20-15(19)13-10-16-18(14(13)11-17(2)3)12-8-6-5-7-9-12/h5-10H,4,11H2,1-3H3</moldb-inchi>
  <moldb-inchikey>KJSKSRUGMLACHL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">273.1477269</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2</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>CHEM293146</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>Ethyl 5-[(dimethylamino)methyl]-1-phenylpyrazole-4-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>CED0248639</sync-id>
  <structure-inchikey>KJSKSRUGMLACHL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>1000000000840000000000000050000000000000000000000000000000000002000000000000000000002004100000000000000000000000000010000000000000000000000000000000040028000000000100000000000000010000000000010000000000000000004000000000000100000000000000000400000000004040000000800000000000000000100000000100000000060000000000000000000000000000000000080000000000000080000000000000000000000100000000000000000000000000000000004000000000002000000200080000000000000040000008000040010000000440000000000000000100000000000000</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��
 
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  <structure-indexed-at type="dateTime">2026-09-19T05:08:13Z</structure-indexed-at>
</compound>
