59848-47-4
2,4-DIHYDRO-5-(4-METHYLPHENYL)-2-PHENYL-3H-PYRAZOL-3-ONE
Name2,4-DIHYDRO-5-(4-METHYLPHENYL)-2-PHENYL-3H-PYRAZOL-3-ONE
1Identification
【Name】
2,4-DIHYDRO-5-(4-METHYLPHENYL)-2-PHENYL-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD09749465
【English Synonyms】
【Formula】
C16 H14 N2 O
【MolWeight】
250.3
【Inchi】
InChI=1S/C16H14N2O/c1-12-7-9-13(10-8-12)15-11-16(19)18(17-15)14-5-3-2-4-6-14/h2-10H,11H2,1H3
【InChIKey】
InChIKey=IRMJITANSXXVLE-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3
【MOL File】
2,4-DIHYDRO-5-(4-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIHYDRO-5-(4-METHYLPHENYL)-2-PHENYL-3H-PYRAZOL-3-ONE.cml