726198-95-4
2-(4,6-DIMETHYLPYRIMIDIN-2-YL)-5-PROPYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
Name2-(4,6-DIMETHYLPYRIMIDIN-2-YL)-5-PROPYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
1Identification
【Name】
2-(4,6-DIMETHYLPYRIMIDIN-2-YL)-5-PROPYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD06192120
【English Synonyms】
【Formula】
C12 H16 N4 O
【MolWeight】
232.285
【Inchi】
InChI=1S/C12H16N4O/c1-4-5-10-7-11(17)16(15-10)12-13-8(2)6-9(3)14-12/h6H,4-5,7H2,1-3H3
【InChIKey】
InChIKey=PJYVZCQMJNAHEH-UHFFFAOYSA-N
【SMILES】
CCCC1=NN(C(=O)C1)c2nc(cc(n2)C)C
【MOL File】
2-(4,6-DIMETHYLPYRIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4,6-DIMETHYLPYRIMIDIN-2-YL)-5-PROPYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE.cml