125103-46-0
1,3-DIPHENYL-N,N-DIPROPYL-5-METHYL-1H-PYRAZOLE-4-CARBOXAMIDE
Name1,3-DIPHENYL-N,N-DIPROPYL-5-METHYL-1H-PYRAZOLE-4-CARBOXAMIDE
1Identification
【Name】
1,3-DIPHENYL-N,N-DIPROPYL-5-METHYL-1H-PYRAZOLE-4-CARBOXAMIDE
【CAS】
【MDL】
MFCD01693577
【English Synonyms】
【Formula】
C23 H27 N3 O
【MolWeight】
361.486
【Inchi】
InChI=1S/C23H27N3O/c1-4-16-25(17-5-2)23(27)21-18(3)26(20-14-10-7-11-15-20)24-22(21)19-12-8-6-9-13-19/h6-15H,4-5,16-17H2,1-3H3
【InChIKey】
InChIKey=MYQMRAYZGYAGHU-UHFFFAOYSA-N
【SMILES】
CCCN(CCC)C(=O)c1c(n(nc1c2ccccc2)c3ccccc3)C
【MOL File】
1,3-DIPHENYL-N,N-DIP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-DIPHENYL-N,N-DIPROPYL-5-METHYL-1H-PYRAZOLE-4-CARBOXAMIDE.cml