712319-11-4
5-METHYL-7-(PENTAFLUOROETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
Name5-METHYL-7-(PENTAFLUOROETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
1Identification
【Name】
5-METHYL-7-(PENTAFLUOROETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD04967187
【English Synonyms】
【Formula】
C10 H10 F5 N3 O2
【MolWeight】
299.198
【Inchi】
InChI=1S/C10H10F5N3O2/c1-4-2-6(9(11,12)10(13,14)15)18-7(16-4)3-5(17-18)8(19)20/h3-4,6,16H,2H2,1H3,(H,19,20)
【InChIKey】
InChIKey=PLAYSRYCRLUCFT-UHFFFAOYSA-N
【SMILES】
CC1CC(n2c(cc(n2)C(=O)O)N1)C(C(F)(F)F)(F)F
【MOL File】
5-METHYL-7-(PENTAFLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-7-(PENTAFLUOROETHYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID.cml