55294-23-0
3-AMINO-1-(2-(3,4-DIMETHYLPHENOXY)ETHYL)-1H-PYRAZOL-5(4H)-ONE
Name3-AMINO-1-(2-(3,4-DIMETHYLPHENOXY)ETHYL)-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
3-AMINO-1-(2-(3,4-DIMETHYLPHENOXY)ETHYL)-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD20226113
【English Synonyms】
【Formula】
C13 H17 N3 O2
【MolWeight】
247.296
【Inchi】
InChI=1S/C13H17N3O2/c1-9-3-4-11(7-10(9)2)18-6-5-16-13(17)8-12(14)15-16/h3-4,7H,5-6,8H2,1-2H3,(H2,14,15)
【InChIKey】
InChIKey=YLTHMBQADFJSLD-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)OCCN2C(=O)CC(=N2)N
【MOL File】
3-AMINO-1-(2-(3,4-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-AMINO-1-(2-(3,4-DIMETHYLPHENOXY)ETHYL)-1H-PYRAZOL-5(4H)-ONE.cml