50639-24-2
1-METHYL-3-(5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL)UREA
Name1-METHYL-3-(5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL)UREA
1Identification
【Name】
1-METHYL-3-(5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL)UREA
【CAS】
【MDL】
MFCD20226344
【English Synonyms】
【Formula】
C11 H12 N4 O2
【MolWeight】
232.242
【Inchi】
InChI=1S/C11H12N4O2/c1-12-11(17)13-9-7-10(16)15(14-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,14,17)
【InChIKey】
InChIKey=QEECYLBFYMZFGW-UHFFFAOYSA-N
【SMILES】
CNC(=O)NC1=NN(C(=O)C1)c2ccccc2
【MOL File】
1-METHYL-3-(5-OXO-1-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-3-(5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL)UREA.cml