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CHEBI:104951 - 2-[4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid ethyl ester

ChEBI IDCHEBI:104951
ChEBI Name2-[4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid ethyl ester
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FormulaC22H23N3O3
Net Charge0
Average Mass377.444
Monoisotopic Mass377.17394
SMILESCCOC(=O)CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(N(C)C)cc1
InChIInChI=1S/C22H23N3O3/c1-4-28-21(26)15-20-19(14-16-10-12-17(13-11-16)24(2)3)22(27)25(23-20)18-8-6-5-7-9-18/h5-14H,4,15H2,1-3H3
InChIKeyQQKRCQSFGQFOBF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid ethyl ester (CHEBI:104951) is a dialkylarylamine (CHEBI:23665)
2-[4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid ethyl ester (CHEBI:104951) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
LSM-16314LINCS