79481-69-9
5-METHYL-2,4-DIPHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
Name5-METHYL-2,4-DIPHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
1Identification
【Name】
5-METHYL-2,4-DIPHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD00140645
【English Synonyms】
【Formula】
C16 H14 N2 O
【MolWeight】
250.3
【Inchi】
InChI=1S/C16H14N2O/c1-12-15(13-8-4-2-5-9-13)16(19)18(17-12)14-10-6-3-7-11-14/h2-11,17H,1H3
【InChIKey】
InChIKey=FXFVSEKKXOPNRA-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)n([nH]1)c2ccccc2)c3ccccc3
【MOL File】
5-METHYL-2,4-DIPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-2,4-DIPHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE.cml