252903-25-6
ETHYL 5-AMINO-1-PHENETHYLPYRAZOLE-4-CARBOXYLATE
NameETHYL 5-AMINO-1-PHENETHYLPYRAZOLE-4-CARBOXYLATE
1Identification
【Name】
ETHYL 5-AMINO-1-PHENETHYLPYRAZOLE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD06795934
【English Synonyms】
【Formula】
C14 H17 N3 O2
【MolWeight】
259.307
【Inchi】
InChI=1S/C14H17N3O2/c1-2-19-14(18)12-10-16-17(13(12)15)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9,15H2,1H3
【InChIKey】
InChIKey=RQQNKPOAHSWRAT-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnn(c1N)CCc2ccccc2
【MOL File】
ETHYL 5-AMINO-1-PHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 5-AMINO-1-PHENETHYLPYRAZOLE-4-CARBOXYLATE.cml