1250753-54-8
1-(2-(DIMETHYLAMINO)ETHYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5(4H)-ONE
Name1-(2-(DIMETHYLAMINO)ETHYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
1-(2-(DIMETHYLAMINO)ETHYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD16846818
【English Synonyms】
【Formula】
C8 H12 F3 N3 O
【MolWeight】
223.197
【Inchi】
InChI=1S/C8H12F3N3O/c1-13(2)3-4-14-7(15)5-6(12-14)8(9,10)11/h3-5H2,1-2H3
【InChIKey】
InChIKey=IEIQYGZMIOYXQF-UHFFFAOYSA-N
【SMILES】
CN(C)CCN1C(=O)CC(=N1)C(F)(F)F
【MOL File】
1-(2-(DIMETHYLAMINO)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(DIMETHYLAMINO)ETHYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5(4H)-ONE.cml