1187172-27-5
ETHYL 5-AMINO-1,4-DIPHENYL-1H-PYRAZOLE-3-CARBOXYLATE
NameETHYL 5-AMINO-1,4-DIPHENYL-1H-PYRAZOLE-3-CARBOXYLATE
1Identification
【Name】
ETHYL 5-AMINO-1,4-DIPHENYL-1H-PYRAZOLE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD09838929
【English Synonyms】
【Formula】
C18 H17 N3 O2
【MolWeight】
307.351
【Inchi】
InChI=1S/C18H17N3O2/c1-2-23-18(22)16-15(13-9-5-3-6-10-13)17(19)21(20-16)14-11-7-4-8-12-14/h3-12H,2,19H2,1H3
【InChIKey】
InChIKey=VUJDQYIYGWKSIG-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c(n(n1)c2ccccc2)N)c3ccccc3
【MOL File】
ETHYL 5-AMINO-1,4-DI….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-1,4-DIPHENYL-1H-PYRAZOLE-3-CARBOXYLATE.cml