852690-95-0
ETHYL 7-HYDROXY-2-METHYL-3-[3-(TRIFLUOROMETHYL)PHENYL]PYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
NameETHYL 7-HYDROXY-2-METHYL-3-[3-(TRIFLUOROMETHYL)PHENYL]PYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
pro_formulaC17 H14 F3 N3 O3
1Identification
【Name】
ETHYL 7-HYDROXY-2-METHYL-3-[3-(TRIFLUOROMETHYL)PHENYL]PYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD03791151
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H14 F3 N3 O3
【pro_molWeight】
365.31
【Inchi】
InChI=1S/C17H14F3N3O3/c1-3-26-16(25)12-8-21-14-13(9(2)22-23(14)15(12)24)10-5-4-6-11(7-10)17(18,19)20/h4-8,24H,3H2,1-2H3
【InChIKey】
InChIKey=VDDWSYXJBUGMHE-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc2c(c(nn2c1O)C)c3cccc(c3)C(F)(F)F
【MOL File】
ETHYL 7-HYDROXY-2-ME….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:5.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
ETHYL 7-HYDROXY-2-METHYL-3-[3-(TRIFLUOROMETHYL)PHENYL]PYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE.cml