877402-80-7
3-(TRIFLUOROMETHYL)-N-(2,2-DIMETHOXYETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE
Name3-(TRIFLUOROMETHYL)-N-(2,2-DIMETHOXYETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE
1Identification
【Name】
3-(TRIFLUOROMETHYL)-N-(2,2-DIMETHOXYETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE
【CAS】
【MDL】
MFCD09834999
【English Synonyms】
【Formula】
C9 H12 F3 N3 O3
【MolWeight】
267.206
【Inchi】
InChI=1S/C9H12F3N3O3/c1-17-7(18-2)4-13-8(16)5-3-6(15-14-5)9(10,11)12/h3,7H,4H2,1-2H3,(H,13,16)(H,14,15)
【InChIKey】
InChIKey=SZSLZTYKXJBXLX-UHFFFAOYSA-N
【SMILES】
COC(CNC(=O)c1cc(n[nH]1)C(F)(F)F)OC
【MOL File】
3-(TRIFLUOROMETHYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(TRIFLUOROMETHYL)-N-(2,2-DIMETHOXYETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE.cml