51420-92-9
4-((3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)METHYL)BENZONITRILE
Name4-((3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)METHYL)BENZONITRILE
1Identification
【Name】
4-((3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)METHYL)BENZONITRILE
【CAS】
【MDL】
MFCD20226352
【English Synonyms】
【Formula】
C11 H10 N4 O
【MolWeight】
214.227
【Inchi】
InChI=1S/C11H10N4O/c12-6-8-1-3-9(4-2-8)7-15-11(16)5-10(13)14-15/h1-4H,5,7H2,(H2,13,14)
【InChIKey】
InChIKey=SGAWIKHQASNIKA-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1CN2C(=O)CC(=N2)N)C#N
【MOL File】
4-((3-AMINO-5-OXO-4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)METHYL)BENZONITRILE.cml