51421-05-7
3-AMINO-1-(3-(TRIFLUOROMETHYL)BENZYL)-1H-PYRAZOL-5(4H)-ONE
Name3-AMINO-1-(3-(TRIFLUOROMETHYL)BENZYL)-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
3-AMINO-1-(3-(TRIFLUOROMETHYL)BENZYL)-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD20226358
【English Synonyms】
【Formula】
C11 H10 F3 N3 O
【MolWeight】
257.214
【Inchi】
InChI=1S/C11H10F3N3O/c12-11(13,14)8-3-1-2-7(4-8)6-17-10(18)5-9(15)16-17/h1-4H,5-6H2,(H2,15,16)
【InChIKey】
InChIKey=NQYLZBNHPABLGV-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(F)(F)F)CN2C(=O)CC(=N2)N
【MOL File】
3-AMINO-1-(3-(TRIFLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-AMINO-1-(3-(TRIFLUOROMETHYL)BENZYL)-1H-PYRAZOL-5(4H)-ONE.cml