138907-70-7
ETHYL 5-AMINO-1-(3-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
NameETHYL 5-AMINO-1-(3-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
1Identification
【Name】
ETHYL 5-AMINO-1-(3-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD13176482
【English Synonyms】
【Formula】
C12 H12 F N3 O2
【MolWeight】
249.244
【Inchi】
InChI=1S/C12H12FN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-4-8(13)6-9/h3-7H,2,14H2,1H3
【InChIKey】
InChIKey=YSWPRCFEKILVOS-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnn(c1N)c2cccc(c2)F
【MOL File】
ETHYL 5-AMINO-1-(3-F….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
ETHYL 5-AMINO-1-(3-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE.cml