55294-13-8
3-ETHYL-1-(1-PHENYLETHYL)-1H-PYRAZOL-5(4H)-ONE
Name3-ETHYL-1-(1-PHENYLETHYL)-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
3-ETHYL-1-(1-PHENYLETHYL)-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD20226375
【English Synonyms】
【Formula】
C13 H16 N2 O
【MolWeight】
216.282
【Inchi】
InChI=1S/C13H16N2O/c1-3-12-9-13(16)15(14-12)10(2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
【InChIKey】
InChIKey=MUUYFMZVZQWYRS-UHFFFAOYSA-N
【SMILES】
CCC1=NN(C(=O)C1)C(C)c2ccccc2
【MOL File】
3-ETHYL-1-(1-PHENYLE….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-ETHYL-1-(1-PHENYLETHYL)-1H-PYRAZOL-5(4H)-ONE.cml