53847-59-9
(E)-2-(2-(3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4(5H)-YLIDENE)HYDRAZINYL)BENZONITRILE
Name(E)-2-(2-(3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4(5H)-YLIDENE)HYDRAZINYL)BENZONITRILE
1Identification
【Name】
(E)-2-(2-(3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4(5H)-YLIDENE)HYDRAZINYL)BENZONITRILE
【CAS】
【MDL】
MFCD01418462
【English Synonyms】
【Formula】
C17 H13 N5 O
【MolWeight】
303.324
【Inchi】
InChI=1S/C17H13N5O/c1-12-16(20-19-15-10-6-5-7-13(15)11-18)17(23)22(21-12)14-8-3-2-4-9-14/h2-10,19H,1H3/b20-16+
【InChIKey】
InChIKey=CLQKOLMRHAMGIZ-CAPFRKAQSA-N
【SMILES】
CC\1=NN(C(=O)/C1=N/Nc2ccccc2C#N)c3ccccc3
【MOL File】
(E)-2-(2-(3-METHYL-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(E)-2-(2-(3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4(5H)-YLIDENE)HYDRAZINYL)BENZONITRILE.cml