361564 <common-name>4-butan-2-yl-1h-pyrazole</common-name> <description>4-butan-2-yl-1h-pyrazole is a chemical compound with the formula C7H12N2. It has an average molecular weight of 124.18 g/mol.</description> <cas>73123-48-5</cas> <pubchem-id>14746485</pubchem-id> <chemical-formula>C7H12N2</chemical-formula> <weight>124.18</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">2026-09-01T10:30:37Z</created-at> <updated-at type="dateTime">2026-09-01T10:30:37Z</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>CCC(C)C1=CNN=C1</moldb-smiles> <moldb-formula>C7H12N2</moldb-formula> <moldb-inchi>InChI=1S/C7H12N2/c1-3-6(2)7-4-8-9-5-7/h4-6H,3H2,1-2H3,(H,8,9)</moldb-inchi> <moldb-inchikey>IGSGRZGYPSFKAS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">124.1000484</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.9</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>CHEM357457</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>4-butan-2-yl-1h-pyrazole</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>CED0311678</sync-id> <structure-inchikey>IGSGRZGYPSFKAS-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000002800000000000000000000000000000000000000000000000001002000000000000000000002000000000000000000000000000000200000000000000000000000000400000000000000100000100000000000000000000000000000000000000000000000000000000000000000000000000000000000000000040000000000000200000100000000000000000000000000000100000008000000000000000000400080000000100000000000000000000000000000100800000000000000000000000000000400000000000000000000000000000000000000000000000000041000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>80200000000000000002000000000000104000000200040020000044000000000800000008001000080800004200004008c00010000442000a0000080110000001000000000000000620000000000104001002200000020000008000c200400000002002000000040000000200080300000000413080820001000020040000004400000080000000808000010240002440000800000080000000014000300000000400000000801002c001002c0000000400800080000000000000000400004040002000080000004010000000000000000402000100004080000000000080000010000000000000002000000000000004000080000000052000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAJAAAACQAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAMBBgBgAAAAAQMGQCgAAAADBAZAaAAAAAMDAQdAOAAAAAMBAwdA KAAAAAMDBkBoAAAAAwMBCwABAAECAAIDAAIEAAQFaAwFBmgMBgdoDAcIaAwI BGgMQgEAAAAFBAUGBwgXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:58:52Z</structure-indexed-at> </compound>