55294-01-4
3-METHYL-1-(1-PHENYLPROPYL)-1H-PYRAZOL-5(4H)-ONE
Name3-METHYL-1-(1-PHENYLPROPYL)-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
3-METHYL-1-(1-PHENYLPROPYL)-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD20229462
【English Synonyms】
【Formula】
C13 H16 N2 O
【MolWeight】
216.282
【Inchi】
InChI=1S/C13H16N2O/c1-3-12(11-7-5-4-6-8-11)15-13(16)9-10(2)14-15/h4-8,12H,3,9H2,1-2H3
【InChIKey】
InChIKey=JIUIBDJOPSQNPI-UHFFFAOYSA-N
【SMILES】
CCC(c1ccccc1)N2C(=O)CC(=N2)C
【MOL File】
3-METHYL-1-(1-PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-1-(1-PHENYLPROPYL)-1H-PYRAZOL-5(4H)-ONE.cml