61358-29-0
4-[1-(1,5-DIMETHYL-3-OXO-2-PHENYL-PYRAZOL-4-YL)BUTYL]-1,5-DIMETHYL-2-PHENYL-PYRAZOL-3-ONE
Name4-[1-(1,5-DIMETHYL-3-OXO-2-PHENYL-PYRAZOL-4-YL)BUTYL]-1,5-DIMETHYL-2-PHENYL-PYRAZOL-3-ONE
1Identification
【Name】
4-[1-(1,5-DIMETHYL-3-OXO-2-PHENYL-PYRAZOL-4-YL)BUTYL]-1,5-DIMETHYL-2-PHENYL-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD00337747
【English Synonyms】
【Formula】
C26 H30 N4 O2
【MolWeight】
430.549
【Inchi】
InChI=1S/C26H30N4O2/c1-6-13-22(23-18(2)27(4)29(25(23)31)20-14-9-7-10-15-20)24-19(3)28(5)30(26(24)32)21-16-11-8-12-17-21/h7-12,14-17,22H,6,13H2,1-5H3
【InChIKey】
InChIKey=HDWBDLKIQZBFBD-UHFFFAOYSA-N
【SMILES】
CCCC(c1c(n(n(c1=O)c2ccccc2)C)C)c3c(n(n(c3=O)c4ccccc4)C)C
【MOL File】
4-[1-(1,5-DIMETHYL-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[1-(1,5-DIMETHYL-3-OXO-2-PHENYL-PYRAZOL-4-YL)BUTYL]-1,5-DIMETHYL-2-PHENYL-PYRAZOL-3-ONE.cml