22123-83-7
5-(4-CYCLOHEXYLANILINO)-2-PHENYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
Name5-(4-CYCLOHEXYLANILINO)-2-PHENYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
1Identification
【Name】
5-(4-CYCLOHEXYLANILINO)-2-PHENYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD02293141
【English Synonyms】
【Formula】
C21 H23 N3 O
【MolWeight】
333.433
【Inchi】
InChI=1S/C21H23N3O/c25-21-15-20(23-24(21)19-9-5-2-6-10-19)22-18-13-11-17(12-14-18)16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,22,23)
【InChIKey】
InChIKey=QKUSSWRSHPNKKR-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)N2C(=O)CC(=N2)Nc3ccc(cc3)C4CCCCC4
【MOL File】
5-(4-CYCLOHEXYLANILI….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
5-(4-CYCLOHEXYLANILINO)-2-PHENYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE.cml