256226-05-8
2,4-DIHYDRO-5-(2-METHYLPROPYL)-2-PHENYL-3H-PYRAZOL-3-ONE
Name2,4-DIHYDRO-5-(2-METHYLPROPYL)-2-PHENYL-3H-PYRAZOL-3-ONE
1Identification
【Name】
2,4-DIHYDRO-5-(2-METHYLPROPYL)-2-PHENYL-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD00135319
【English Synonyms】
【Formula】
C13 H16 N2 O
【MolWeight】
216.282
【Inchi】
InChI=1S/C13H16N2O/c1-10(2)8-11-9-13(16)15(14-11)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
【InChIKey】
InChIKey=ISMSPQWEPWDBBF-UHFFFAOYSA-N
【SMILES】
CC(C)CC1=NN(C(=O)C1)c2ccccc2
【MOL File】
2,4-DIHYDRO-5-(2-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIHYDRO-5-(2-METHYLPROPYL)-2-PHENYL-3H-PYRAZOL-3-ONE.cml