CHEBI:105289 - 1-(4-chlorophenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-pyrazolecarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(4-chlorophenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-pyrazolecarboxylic acid
ChEBI ID CHEBI:105289
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H24ClN3O4
Net Charge 0
Average Mass 405.876
Monoisotopic Mass 405.14553
InChI InChI=1S/C20H24ClN3O4/c1-20(2,3)28-19(27)23-10-8-13(9-11-23)17-16(18(25)26)12-22-24(17)15-6-4-14(21)5-7-15/h4-7,12-13H,8-11H2,1-3H3,(H,25,26)
InChIKey LJCLZGWBEQIEML-UHFFFAOYSA-N
SMILES CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)Cl)C(=O)O
ChEBI Ontology
Outgoing 1-(4-chlorophenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-pyrazolecarboxylic acid (CHEBI:105289) is a pyrazoles (CHEBI:26410)
1-(4-chlorophenyl)-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-pyrazolecarboxylic acid (CHEBI:105289) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-16652 LINCS
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