<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">351302</id>
  <title nil="true"/>
  <common-name>2-(4-methoxyphenyl)-3-[5-(4-methoxyphenyl)-2-(2-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1h-indole</common-name>
  <description>2-(4-methoxyphenyl)-3-[5-(4-methoxyphenyl)-2-(2-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1h-indole is a chemical compound with the formula C31H26N4O4. With an average molecular weight of 518.60 g/mol, 2-(4-methoxyphenyl)-3-[5-(4-methoxyphenyl)-2-(2-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1h-indole is a heavy molecule.</description>
  <cas>76195-76-1</cas>
  <pubchem-id>3059168</pubchem-id>
  <chemical-formula>C31H26N4O4</chemical-formula>
  <weight>518.6</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">2026-08-31T16:55:50Z</created-at>
  <updated-at type="dateTime">2026-08-31T16:55:50Z</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(C2)C3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)OC)C6=CC=CC=C6[N+](=O)[O-]</moldb-smiles>
  <moldb-formula>C31H26N4O4</moldb-formula>
  <moldb-inchi>InChI=1S/C31H26N4O4/c1-38-22-15-11-20(12-16-22)26-19-29(34(33-26)27-9-5-6-10-28(27)35(36)37)30-24-7-3-4-8-25(24)32-31(30)21-13-17-23(39-2)18-14-21/h3-18,29,32H,19H2,1-2H3</moldb-inchi>
  <moldb-inchikey>CWSJJDXICFPHOR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">518.1954053</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.6</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>CHEM347195</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>2-(4-methoxyphenyl)-3-[5-(4-methoxyphenyl)-2-(2-nitrophenyl)-3,4-dihydropyrazol-3-yl]-1h-indole</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>Indoles and derivatives</klass>
  <subklass>Indoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0301602</sync-id>
  <structure-inchikey>CWSJJDXICFPHOR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000000000100080000100800000100000000010000000000200000000000200000002000002000000000040000000000000001800000000000000000000000000000000000000020040000010100001a00100100400000040000000000010240000000000000800000020100000000000001000000100100000040000000800000200000000008800000001100000000000000000000000110008000000000040000080000000000000000000000000000000000000080000000040000000000000000018000000000000000000000004200000001000000000000000000000040000000000000000000401000000000000000000000</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�������@(������ *��������(������ *���ÿ�������� ��h���h���h���h���h��� �	(�	
 
��������h���h���h���h���h���h���h���h��� ��h���h���h���h���h��� ���
� ��h�� h� !h�!"h�"#h�#$ $%(�$&amp; ��h�����h���h���h�#�h�B������������	���
��������������������� !"#�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:49:14Z</structure-indexed-at>
</compound>
