733795-38-5
1-(2,5-DIMETHYLPHENYL)-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
Name1-(2,5-DIMETHYLPHENYL)-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
1Identification
【Name】
1-(2,5-DIMETHYLPHENYL)-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE
【CAS】
【MDL】
MFCD04636887
【English Synonyms】
【Formula】
C12 H14 N2 O
【MolWeight】
202.256
【Inchi】
InChI=1S/C12H14N2O/c1-8-4-5-9(2)11(6-8)14-12(15)7-10(3)13-14/h4-6H,7H2,1-3H3
【InChIKey】
InChIKey=HYJKWZAGPAFYIP-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)N2C(=O)CC(=N2)C)C
【MOL File】
1-(2,5-DIMETHYLPHENY….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
1-(2,5-DIMETHYLPHENYL)-3-METHYL-4,5-DIHYDRO-1H-PYRAZOL-5-ONE.cml