55294-29-6
3-METHYL-1-(1-PHENYLETHYL)-1H-PYRAZOL-5(4H)-ONE
Name3-METHYL-1-(1-PHENYLETHYL)-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
3-METHYL-1-(1-PHENYLETHYL)-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD20226379
【English Synonyms】
【Formula】
C12 H14 N2 O
【MolWeight】
202.256
【Inchi】
InChI=1S/C12H14N2O/c1-9-8-12(15)14(13-9)10(2)11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3
【InChIKey】
InChIKey=DBGAKKRCSSMUTI-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1)C(C)c2ccccc2
【MOL File】
3-METHYL-1-(1-PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-1-(1-PHENYLETHYL)-1H-PYRAZOL-5(4H)-ONE.cml