700352-15-4
3-(4-FLUOROPHENYL)-N-[1-(4-PHENYLPHENYL)ETHYLIDENEAMINO]-1H-PYRAZOLE-5-CARBOXAMIDE
Name3-(4-FLUOROPHENYL)-N-[1-(4-PHENYLPHENYL)ETHYLIDENEAMINO]-1H-PYRAZOLE-5-CARBOXAMIDE
pro_formulaC24 H19 F N4 O
1Identification
【Name】
3-(4-FLUOROPHENYL)-N-[1-(4-PHENYLPHENYL)ETHYLIDENEAMINO]-1H-PYRAZOLE-5-CARBOXAMIDE
【CAS】
【MDL】
MFCD02074522
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C24 H19 F N4 O
【pro_molWeight】
398.439
【Inchi】
InChI=1S/C24H19FN4O/c1-16(17-7-9-19(10-8-17)18-5-3-2-4-6-18)26-29-24(30)23-15-22(27-28-23)20-11-13-21(25)14-12-20/h2-15H,1H3,(H,27,28)(H,29,30)/b26-16+
【InChIKey】
InChIKey=CBAQNVJWLKAEPC-WGOQTCKBSA-N
【SMILES】
C/C(=N\NC(=O)c1cc(n[nH]1)c2ccc(cc2)F)/c3ccc(cc3)c4ccccc4
【MOL File】
3-(4-FLUOROPHENYL)-N….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(4-FLUOROPHENYL)-N-[1-(4-PHENYLPHENYL)ETHYLIDENEAMINO]-1H-PYRAZOLE-5-CARBOXAMIDE.cml