351271 <common-name>3-hydroxy-4-[[3-methyl-1-[4-[[4-(3-methyl-5-oxo-4h-pyrazol-1-yl)phenyl]carbamoylamino]phenyl]-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-nitronaphthalene-1-sulfonic acid</common-name> <description>3-hydroxy-4-[[3-methyl-1-[4-[[4-(3-methyl-5-oxo-4h-pyrazol-1-yl)phenyl]carbamoylamino]phenyl]-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-nitronaphthalene-1-sulfonic acid has the chemical formula C31H25N9O9S. With an average molecular weight of 699.70 g/mol, 3-hydroxy-4-[[3-methyl-1-[4-[[4-(3-methyl-5-oxo-4h-pyrazol-1-yl)phenyl]carbamoylamino]phenyl]-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-nitronaphthalene-1-sulfonic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>176372</pubchem-id> <chemical-formula>C31H25N9O9S</chemical-formula> <weight>699.7</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">2026-08-31T16:52:49Z</created-at> <updated-at type="dateTime">2026-08-31T16:52:49Z</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=NN(C(=O)C1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)N4C(=O)C(C(=N4)C)N=NC5=C6C=CC(=CC6=C(C=C5O)S(=O)(=O)O)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C31H25N9O9S</moldb-formula> <moldb-inchi>InChI=1S/C31H25N9O9S/c1-16-13-27(42)38(36-16)20-7-3-18(4-8-20)32-31(44)33-19-5-9-21(10-6-19)39-30(43)28(17(2)37-39)34-35-29-23-12-11-22(40(45)46)14-24(23)26(15-25(29)41)50(47,48)49/h3-12,14-15,28,41H,13H2,1-2H3,(H2,32,33,44)(H,47,48,49)</moldb-inchi> <moldb-inchikey>KDLCBDNPDWVMQR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">699.1495946</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>CHEM347164</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-hydroxy-4-[[3-methyl-1-[4-[[4-(3-methyl-5-oxo-4h-pyrazol-1-yl)phenyl]carbamoylamino]phenyl]-5-oxo-4h-pyrazol-4-yl]diazenyl]-7-nitronaphthalene-1-sulfonic 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>Benzenoids</superklass> <klass>Naphthalenes</klass> <subklass>Naphthalene sulfonic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0301571</sync-id> <structure-inchikey>KDLCBDNPDWVMQR-UHFFFAOYSA-N</structure-inchikey> 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