866039-28-3
BENZYL 3-CYANO-7-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
NameBENZYL 3-CYANO-7-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
1Identification
【Name】
BENZYL 3-CYANO-7-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD04125664
【English Synonyms】
【Formula】
C16 H12 N4 O2
【MolWeight】
292.297
【Inchi】
InChI=1S/C16H12N4O2/c1-11-14(9-18-15-13(7-17)8-19-20(11)15)16(21)22-10-12-5-3-2-4-6-12/h2-6,8-9H,10H2,1H3
【InChIKey】
InChIKey=CIESFRATDVFUFM-UHFFFAOYSA-N
【SMILES】
Cc1c(cnc2n1ncc2C#N)C(=O)OCc3ccccc3
【MOL File】
BENZYL 3-CYANO-7-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZYL 3-CYANO-7-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE.cml