<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">361681</id>
  <title nil="true"/>
  <common-name>3-(1-methylpyrazol-3-yl)propan-1-amine</common-name>
  <description>3-(1-methylpyrazol-3-yl)propan-1-amine is a chemical compound with the formula C7H13N3. It has an average molecular weight of 139.20 g/mol.</description>
  <cas>1511562-96-1</cas>
  <pubchem-id>82870060</pubchem-id>
  <chemical-formula>C7H13N3</chemical-formula>
  <weight>139.2</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">2026-09-01T10:39:42Z</created-at>
  <updated-at type="dateTime">2026-09-01T10:39:42Z</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>CN1C=CC(=N1)CCCN</moldb-smiles>
  <moldb-formula>C7H13N3</moldb-formula>
  <moldb-inchi>InChI=1S/C7H13N3/c1-10-6-4-7(9-10)3-2-5-8/h4,6H,2-3,5,8H2,1H3</moldb-inchi>
  <moldb-inchikey>KVZSKSMTEUMSLT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">139.1109474</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-0.1</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>CHEM357574</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-(1-methylpyrazol-3-yl)propan-1-amine</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 nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Amines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0311792</sync-id>
  <structure-inchikey>KVZSKSMTEUMSLT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000008000000000000000000000000000080002000000000000000000000000000000000000000000000000000100000000000000000000000000000000008000000000000000000000000000000008000000000000000000100000000000400000000000000000040000008000400000000004000001000000000000000001000000000000000000000000000000000080000000000000000000000000000000004000000000000000000000000000000000000000000000000000000000200200000000000000000008000000040080000010000000000080000000000004000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������
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  <structure-indexed-at type="dateTime">2026-09-19T05:58:57Z</structure-indexed-at>
</compound>
