51421-09-1
3-AMINO-1-((5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)METHYL)-1H-PYRAZOL-5(4H)-ONE
Name3-AMINO-1-((5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)METHYL)-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
3-AMINO-1-((5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)METHYL)-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD20226359
【English Synonyms】
【Formula】
C14 H17 N3 O
【MolWeight】
243.308
【Inchi】
InChI=1S/C14H17N3O/c15-13-8-14(18)17(16-13)9-10-5-6-11-3-1-2-4-12(11)7-10/h5-7H,1-4,8-9H2,(H2,15,16)
【InChIKey】
InChIKey=GOBJJMPSNLCDRH-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1CN3C(=O)CC(=N3)N)CCCC2
【MOL File】
3-AMINO-1-((5,6,7,8-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-AMINO-1-((5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)METHYL)-1H-PYRAZOL-5(4H)-ONE.cml