512814-13-0
ETHYL 5-(1-ETHYL-3-METHYL-1H-PYRAZOL-4-YL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE
NameETHYL 5-(1-ETHYL-3-METHYL-1H-PYRAZOL-4-YL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE
1Identification
【Name】
ETHYL 5-(1-ETHYL-3-METHYL-1H-PYRAZOL-4-YL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD03075228
【English Synonyms】
【Formula】
C16 H16 F3 N5 O2
【MolWeight】
367.329
【Inchi】
InChI=1S/C16H16F3N5O2/c1-4-23-8-11(9(3)22-23)12-6-13(16(17,18)19)24-14(21-12)10(7-20-24)15(25)26-5-2/h6-8H,4-5H2,1-3H3
【InChIKey】
InChIKey=QJDSDLHSQBLFTK-UHFFFAOYSA-N
【SMILES】
CCn1cc(c(n1)C)c2cc(n3c(n2)c(cn3)C(=O)OCC)C(F)(F)F
【MOL File】
ETHYL 5-(1-ETHYL-3-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 5-(1-ETHYL-3-METHYL-1H-PYRAZOL-4-YL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLATE.cml