93065-68-0
(2-HYDROXY-3,5-DIMETHYLPHENYL)(1-PHENYL-1H-PYRAZOL-4-YL)METHANONE
Name(2-HYDROXY-3,5-DIMETHYLPHENYL)(1-PHENYL-1H-PYRAZOL-4-YL)METHANONE
1Identification
【Name】
(2-HYDROXY-3,5-DIMETHYLPHENYL)(1-PHENYL-1H-PYRAZOL-4-YL)METHANONE
【CAS】
【MDL】
MFCD03424544
【English Synonyms】
【Formula】
C18 H16 N2 O2
【MolWeight】
292.336
【Inchi】
InChI=1S/C18H16N2O2/c1-12-8-13(2)17(21)16(9-12)18(22)14-10-19-20(11-14)15-6-4-3-5-7-15/h3-11,21H,1-2H3
【InChIKey】
InChIKey=GPQQYGCUNSQTTG-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1)C(=O)c2cnn(c2)c3ccccc3)O)C
【MOL File】
(2-HYDROXY-3,5-DIMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(2-HYDROXY-3,5-DIMETHYLPHENYL)(1-PHENYL-1H-PYRAZOL-4-YL)METHANONE.cml