<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">293436</id>
  <title nil="true"/>
  <common-name>N-(2,6-dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboxamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>211543</pubchem-id>
  <chemical-formula>C14H21N3O</chemical-formula>
  <weight>247.34</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">2026-08-28T08:48:00Z</created-at>
  <updated-at type="dateTime">2026-08-28T08:48:00Z</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(=CC=C1)C)NC(=O)C2CCN(N2C)C</moldb-smiles>
  <moldb-formula>C14H21N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C14H21N3O/c1-10-6-5-7-11(2)13(10)15-14(18)12-8-9-16(3)17(12)4/h5-7,12H,8-9H2,1-4H3,(H,15,18)</moldb-inchi>
  <moldb-inchikey>HKFAFUJLRDYWCQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">247.1684623</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.3</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>CHEM289329</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-(2,6-dimethylphenyl)-1,2-dimethylpyrazolidine-3-carboxamide</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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0244947</sync-id>
  <structure-inchikey>HKFAFUJLRDYWCQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000200000000000000000000000000000000000000400000000004000000000000000000000000010000000000004000000000000000020000000004000000000000000000000000000010000000000000000000000000000020100000000000000000000100001000040000800800000000000004080000000000000000000000000004000000000000004000000000000080100000000000000000000008400000000000000000000000000000000000000000000000000080000002000000200000000000000018000000000004040000000000400000000000000000081000000000000</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����B��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:05:21Z</structure-indexed-at>
</compound>
