55294-12-7
3-METHYL-1-(1-PHENYLPROPAN-2-YL)-1H-PYRAZOL-5(4H)-ONE
Name3-METHYL-1-(1-PHENYLPROPAN-2-YL)-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
3-METHYL-1-(1-PHENYLPROPAN-2-YL)-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD20227282
【English Synonyms】
【Formula】
C13 H16 N2 O
【MolWeight】
216.282
【Inchi】
InChI=1S/C13H16N2O/c1-10-8-13(16)15(14-10)11(2)9-12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3
【InChIKey】
InChIKey=PIUDWAQQJGYTFA-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1)C(C)Cc2ccccc2
【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-PHENYLPROPAN-2-YL)-1H-PYRAZOL-5(4H)-ONE.cml