125103-56-2
N-BUTYL-3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-ACETAMIDE
NameN-BUTYL-3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-ACETAMIDE
1Identification
【Name】
N-BUTYL-3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-ACETAMIDE
【CAS】
【MDL】
MFCD01693734
【English Synonyms】
【Formula】
C17 H23 N3 O
【MolWeight】
285.389
【Inchi】
InChI=1S/C17H23N3O/c1-4-5-11-18-17(21)12-16-13(2)19-20(14(16)3)15-9-7-6-8-10-15/h6-10H,4-5,11-12H2,1-3H3,(H,18,21)
【InChIKey】
InChIKey=TYEQOPUQTBJCKA-UHFFFAOYSA-N
【SMILES】
CCCCNC(=O)Cc1c(nn(c1C)c2ccccc2)C
【MOL File】
N-BUTYL-3,5-DIMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-BUTYL-3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-4-ACETAMIDE.cml