55228-47-2
5-BUTOXY-N-BUTYL-1-PHENYL-1H-PYRAZOLE-3-CARBOXAMIDE
Name5-BUTOXY-N-BUTYL-1-PHENYL-1H-PYRAZOLE-3-CARBOXAMIDE
1Identification
【Name】
5-BUTOXY-N-BUTYL-1-PHENYL-1H-PYRAZOLE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD01693614
【English Synonyms】
【Formula】
C18 H25 N3 O2
【MolWeight】
315.414
【Inchi】
InChI=1S/C18H25N3O2/c1-3-5-12-19-18(22)16-14-17(23-13-6-4-2)21(20-16)15-10-8-7-9-11-15/h7-11,14H,3-6,12-13H2,1-2H3,(H,19,22)
【InChIKey】
InChIKey=XEGGIQBCXBHPIQ-UHFFFAOYSA-N
【SMILES】
CCCCNC(=O)c1cc(n(n1)c2ccccc2)OCCCC
【MOL File】
5-BUTOXY-N-BUTYL-1-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BUTOXY-N-BUTYL-1-PHENYL-1H-PYRAZOLE-3-CARBOXAMIDE.cml