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CHEBI:82712 - SD-06

ChEBI IDCHEBI:82712
ChEBI NameSD-06
Stars
DefinitionA member of the class of pyrazoles that is 1H-pyrazole in which the hydrogens at positions 3, 4, and 5 are replaced by N-(hydroxyacetyl)piperidin-4-yl, pyrimidin-4-yl and p-chlorophenyl groups, respectively.
Last Modified22 May 2016
Submittermziehm
DownloadsMolfile
FormulaC20H20ClN5O2
Net Charge0
Average Mass397.866
Monoisotopic Mass397.13055
SMILESO=C(CO)N1CCC(c2nnc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1
InChIInChI=1S/C20H20ClN5O2/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(28)11-27/h1-5,8,12,14,27H,6-7,9-11H2,(H,24,25)
InChIKeyCATQHDWESBRRQA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
SD-06 (CHEBI:82712) is a N-acylpiperidine (CHEBI:48591)
SD-06 (CHEBI:82712) is a monochlorobenzenes (CHEBI:83403)
SD-06 (CHEBI:82712) is a primary alcohol (CHEBI:15734)
SD-06 (CHEBI:82712) is a pyrazoles (CHEBI:26410)
SD-06 (CHEBI:82712) is a pyrimidines (CHEBI:39447)
IUPAC Name 
1-{4-[5-(4-chlorophenyl)-4-(pyrimidin-4-yl)-1H-pyrazol-3-yl]piperidin-1-yl}-2-hydroxyethanone
Synonyms  Source
2-{4-[5-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-3-yl]piperidin-1-yl}-2-oxoethanolDrugBank
5-p-chlorophenyl-3-[N-(2-hydroxyacetyl)piperidin-4-yl]-4-pyrimidin-4-yl-1H-pyrazoleChEBI
Manual XrefsDatabases
DB07943DrugBank
I47PDBeChem