102689-19-0
3H-PYRAZOL-3-ONE, 2,4-DIHYDRO-5-PHENYL-2-(1,2,5-TRIMETHYL-4-PIPERIDINY L)-
Name3H-PYRAZOL-3-ONE, 2,4-DIHYDRO-5-PHENYL-2-(1,2,5-TRIMETHYL-4-PIPERIDINY L)-
1Identification
【Name】
3H-PYRAZOL-3-ONE, 2,4-DIHYDRO-5-PHENYL-2-(1,2,5-TRIMETHYL-4-PIPERIDINY L)-
【CAS】
【MDL】
MFCD01693105
【English Synonyms】
【Formula】
C17 H23 N3 O
【MolWeight】
285.389
【Inchi】
InChI=1S/C17H23N3O/c1-12-11-19(3)13(2)9-16(12)20-17(21)10-15(18-20)14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3
【InChIKey】
InChIKey=JREBIAFWXAAHMJ-UHFFFAOYSA-N
【SMILES】
CC1CC(C(CN1C)C)N2C(=O)CC(=N2)c3ccccc3
【MOL File】
3H-PYRAZOL-3-ONE, 2,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3H-PYRAZOL-3-ONE, 2,4-DIHYDRO-5-PHENYL-2-(1,2,5-TRIMETHYL-4-PIPERIDINY L)-.cml