<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">300656</id>
  <title nil="true"/>
  <common-name>3-(4-methylphenyl)-n-pyridin-2-yl-1h-pyrazole-5-carboxamide</common-name>
  <description>3-(4-methylphenyl)-n-pyridin-2-yl-1h-pyrazole-5-carboxamide belongs to the pyrazoles, a subclass of azoles within the organic compounds. This organoheterocyclic compound has the chemical formula C16H14N4O and an average molecular weight of 278.31 g/mol.</description>
  <cas>130421-49-7</cas>
  <pubchem-id>3076200</pubchem-id>
  <chemical-formula>C16H14N4O</chemical-formula>
  <weight>278.31</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">2026-08-28T17:32:27Z</created-at>
  <updated-at type="dateTime">2026-08-28T17:32:27Z</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>CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC=CC=N3</moldb-smiles>
  <moldb-formula>C16H14N4O</moldb-formula>
  <moldb-inchi>InChI=1S/C16H14N4O/c1-11-5-7-12(8-6-11)13-10-14(20-19-13)16(21)18-15-4-2-3-9-17-15/h2-10H,1H3,(H,19,20)(H,17,18,21)</moldb-inchi>
  <moldb-inchikey>HUBZSOMBUHTEOV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">278.1167611</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>CHEM296549</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>3-(4-methylphenyl)-n-pyridin-2-yl-1h-pyrazole-5-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>Organoheterocyclic compounds</superklass>
  <klass>Azoles</klass>
  <subklass>Pyrazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0251918</sync-id>
  <structure-inchikey>HUBZSOMBUHTEOV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000100000000000000000000001000000000000000000010000000000000002020000000000000008000000002000000000000000000000000000100000000000020000000000000000000000000000000000000010000000000000000100000800100000000000000000800400000000000000040020000801000200000000090800000000100000000000000000000000000008000000000000000080000000000000000080000000000000000000000000000000000000000000000000000400400000000002000000200000000000000008100000000002040000000000480000000000010000000080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@h�������@(������@h�������@h�������@(������@(������@8�������@(������@h��������(�������(�������h�������@(������@h�������@h�������@h�������@h�������@(�����������h���h���h���h���h��� ��h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:10:38Z</structure-indexed-at>
</compound>
