676589-12-1
5-ADAMANTAN-1-YL-7-TRIFLUOROMETHYL-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Name5-ADAMANTAN-1-YL-7-TRIFLUOROMETHYL-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
5-ADAMANTAN-1-YL-7-TRIFLUOROMETHYL-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD03468334
【English Synonyms】
【Formula】
C20 H22 F3 N3 O2
【MolWeight】
393.407
【Inchi】
InChI=1S/C20H22F3N3O2/c1-2-28-18(27)14-10-24-26-16(20(21,22)23)6-15(25-17(14)26)19-7-11-3-12(8-19)5-13(4-11)9-19/h6,10-13H,2-5,7-9H2,1H3/t11-,12+,13-,19-
【InChIKey】
InChIKey=CCQPPLOYAPNWBF-QWKINGPYSA-N
【SMILES】
CCOC(=O)c1cnn2c1nc(cc2C(F)(F)F)[C@@]34C[C@H]5C[C@@H](C3)C[C@H](C5)C4
【MOL File】
5-ADAMANTAN-1-YL-7-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-ADAMANTAN-1-YL-7-TRIFLUOROMETHYL-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER.cml