338975-78-3
5-METHYL-4-(((4-METHYLBENZYL)AMINO)METHYLENE)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
Name5-METHYL-4-(((4-METHYLBENZYL)AMINO)METHYLENE)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
1Identification
【Name】
5-METHYL-4-(((4-METHYLBENZYL)AMINO)METHYLENE)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD00138361
【English Synonyms】
【Formula】
C13 H15 N3 O
【MolWeight】
229.281
【Inchi】
InChI=1S/C13H15N3O/c1-9-3-5-11(6-4-9)7-14-8-12-10(2)15-16-13(12)17/h3-6,8,14H,7H2,1-2H3,(H,16,17)/b12-8-
【InChIKey】
InChIKey=FOZDBLTUJKOIMX-WQLSENKSSA-N
【SMILES】
Cc1ccc(cc1)CN/C=C\2/C(=NNC2=O)C
【MOL File】
5-METHYL-4-(((4-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-4-(((4-METHYLBENZYL)AMINO)METHYLENE)-2,4-DIHYDRO-3H-PYRAZOL-3-ONE.cml