308547 <common-name>(2s)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-methylpentanoic acid</common-name> <description>(2s)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-methylpentanoic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C17H23N3O3 and an average molecular weight of 317.40 g/mol.</description> <cas nil="true"/> <pubchem-id>3044580</pubchem-id> <chemical-formula>C17H23N3O3</chemical-formula> <weight>317.4</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">2026-08-29T02:57:11Z</created-at> <updated-at type="dateTime">2026-08-29T02:57:11Z</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(=O)N(N1C)C2=CC=CC=C2)NC(CC(C)C)C(=O)O</moldb-smiles> <moldb-formula>C17H23N3O3</moldb-formula> <moldb-inchi>InChI=1S/C17H23N3O3/c1-11(2)10-14(17(22)23)18-15-12(3)19(4)20(16(15)21)13-8-6-5-7-9-13/h5-9,11,14,18H,10H2,1-4H3,(H,22,23)/t14-/m0/s1</moldb-inchi> <moldb-inchikey>JBDLHMLZWPDGIK-AWEZNQCLSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">317.1739416</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.1</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>CHEM304440</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>(2s)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-methylpentanoic acid</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>CED0259570</sync-id> <structure-inchikey>JBDLHMLZWPDGIK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000010800000000000001000000000000000000000000000000000001000000020010000000002000404000000000200000000000000000080000000000000002000000000000000000020000000802000000000008000010000000000010000000000000080000000000000000100000000000000000000000000004040000000800000000000004080000000000100000000100000000000000000000000000000000000080000000000000000000000002000000000000000000000000000000000008000000000000000000000002000000200020000000000000040000900000040000000000400000000000000000000100000000080</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���h������ � h� h� �h���h�� h��� ��������������������(��� ��h� �h�B����������� �� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:16:27Z</structure-indexed-at> </compound>