50639-23-1
1-ETHYL-3-(5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL)UREA
Name1-ETHYL-3-(5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL)UREA
1Identification
【Name】
1-ETHYL-3-(5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL)UREA
【CAS】
【MDL】
MFCD20228514
【English Synonyms】
【Formula】
C12 H14 N4 O2
【MolWeight】
246.269
【Inchi】
InChI=1S/C12H14N4O2/c1-2-13-12(18)14-10-8-11(17)16(15-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,13,14,15,18)
【InChIKey】
InChIKey=AFYXATUJOKVWTB-UHFFFAOYSA-N
【SMILES】
CCNC(=O)NC1=NN(C(=O)C1)c2ccccc2
【MOL File】
1-ETHYL-3-(5-OXO-1-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ETHYL-3-(5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL)UREA.cml