56882-21-4
1-(1-(4-FLUOROPHENYL)ETHYL)-3-METHYL-1H-PYRAZOL-5(4H)-ONE
Name1-(1-(4-FLUOROPHENYL)ETHYL)-3-METHYL-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
1-(1-(4-FLUOROPHENYL)ETHYL)-3-METHYL-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD20230145
【English Synonyms】
【Formula】
C12 H13 F N2 O
【MolWeight】
220.246
【Inchi】
InChI=1S/C12H13FN2O/c1-8-7-12(16)15(14-8)9(2)10-3-5-11(13)6-4-10/h3-6,9H,7H2,1-2H3
【InChIKey】
InChIKey=SWPYADRUWFLJFC-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1)C(C)c2ccc(cc2)F
【MOL File】
1-(1-(4-FLUOROPHENYL….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
1-(1-(4-FLUOROPHENYL)ETHYL)-3-METHYL-1H-PYRAZOL-5(4H)-ONE.cml