784140-68-7
1-[2',4'-BIS(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-3-YL]-5-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE
Name1-[2',4'-BIS(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-3-YL]-5-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE
1Identification
【Name】
1-[2',4'-BIS(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-3-YL]-5-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD13195197
【English Synonyms】
【Formula】
C19 H13 F6 N3 O
【MolWeight】
413.32
【Inchi】
InChI=1S/C19H13F6N3O/c1-10-7-16(17(26)29)27-28(10)13-4-2-3-11(8-13)14-6-5-12(18(20,21)22)9-15(14)19(23,24)25/h2-9H,1H3,(H2,26,29)
【InChIKey】
InChIKey=PBADEQPCYAGBIL-UHFFFAOYSA-N
【SMILES】
Cc1cc(nn1c2cccc(c2)c3ccc(cc3C(F)(F)F)C(F)(F)F)C(=O)N
【MOL File】
1-[2',4'-BIS(TRIFLUO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[2',4'-BIS(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-3-YL]-5-METHYL-1H-PYRAZOLE-3-CARBOXAMIDE.cml