54026-78-7
1-PHENYL-3-(N-PHENYLCARBAMOYL)-2-PYRAZOLIN-4-ONE
Name1-PHENYL-3-(N-PHENYLCARBAMOYL)-2-PYRAZOLIN-4-ONE
1Identification
【Name】
1-PHENYL-3-(N-PHENYLCARBAMOYL)-2-PYRAZOLIN-4-ONE
【CAS】
【MDL】
MFCD00089428
【English Synonyms】
【Formula】
C16 H13 N3 O2
【MolWeight】
279.298
【Inchi】
InChI=1S/C16H13N3O2/c20-14-11-19(13-9-5-2-6-10-13)18-15(14)16(21)17-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,21)
【InChIKey】
InChIKey=FFVYURLAHSLZTC-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)NC(=O)C2=NN(CC2=O)c3ccccc3
【MOL File】
1-PHENYL-3-(N-PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PHENYL-3-(N-PHENYLCARBAMOYL)-2-PYRAZOLIN-4-ONE.cml