344017 <common-name>5-[4-(4-cyanobut-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-4-(hydroxymethyl)-n-morpholin-4-ylpyrazole-3-carboxamide</common-name> <description>5-[4-(4-cyanobut-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-4-(hydroxymethyl)-n-morpholin-4-ylpyrazole-3-carboxamide is a chemical compound with the formula C26H23Cl2N5O3. With an average molecular weight of 524.40 g/mol, 5-[4-(4-cyanobut-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-4-(hydroxymethyl)-n-morpholin-4-ylpyrazole-3-carboxamide is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>46894021</pubchem-id> <chemical-formula>C26H23Cl2N5O3</chemical-formula> <weight>524.4</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">2026-08-31T05:44:26Z</created-at> <updated-at type="dateTime">2026-08-31T05:44:26Z</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>C1COCCN1NC(=O)C2=NN(C(=C2CO)C3=CC=C(C=C3)C#CCCC#N)C4=C(C=C(C=C4)Cl)Cl</moldb-smiles> <moldb-formula>C26H23Cl2N5O3</moldb-formula> <moldb-inchi>InChI=1S/C26H23Cl2N5O3/c27-20-9-10-23(22(28)16-20)33-25(19-7-5-18(6-8-19)4-2-1-3-11-29)21(17-34)24(30-33)26(35)31-32-12-14-36-15-13-32/h5-10,16,34H,1,3,12-15,17H2,(H,31,35)</moldb-inchi> <moldb-inchikey>VQXIVPLXEIZJTH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">523.117795</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</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>CHEM339910</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>5-[4-(4-cyanobut-1-ynyl)phenyl]-1-(2,4-dichlorophenyl)-4-(hydroxymethyl)-n-morpholin-4-ylpyrazole-3-carboxamide</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>CED0294390</sync-id> <structure-inchikey>VQXIVPLXEIZJTH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800002000000000001000400000000000082000008000000000040000001000000010002002000000004000200000000000002200000081000000000400000000000000000000020800021000800000020000000000000040200090088000400000000100008800000020100120000000000010000000000000000000000400000000000080080800000000000400000000000000000000100000000000000000000088000040000000040000000008000000000000000000000000000000000000000000000000010000001000000200200000000004802000000000008000040000100001400000000280000000000000000002000</structure-fingerprint> 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