50737-67-2
2,4-DIHYDRO-2-(4-METHOXYPHENYL)-5-METHYL-4-PHENYL-3H-PYRAZOL-3-ONE
Name2,4-DIHYDRO-2-(4-METHOXYPHENYL)-5-METHYL-4-PHENYL-3H-PYRAZOL-3-ONE
1Identification
【Name】
2,4-DIHYDRO-2-(4-METHOXYPHENYL)-5-METHYL-4-PHENYL-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD17015708
【English Synonyms】
【Formula】
C17 H16 N2 O2
【MolWeight】
280.325
【Inchi】
InChI=1S/C17H16N2O2/c1-12-16(13-6-4-3-5-7-13)17(20)19(18-12)14-8-10-15(21-2)11-9-14/h3-11,16H,1-2H3
【InChIKey】
InChIKey=YGCRNHYKMBSYGD-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1c2ccccc2)c3ccc(cc3)OC
【MOL File】
2,4-DIHYDRO-2-(4-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIHYDRO-2-(4-METHOXYPHENYL)-5-METHYL-4-PHENYL-3H-PYRAZOL-3-ONE.cml