801990-03-4
3-METHYL-1-(2-(PIPERIDIN-4-YL)ETHYL)-1H-PYRAZOL-5(4H)-ONE
Name3-METHYL-1-(2-(PIPERIDIN-4-YL)ETHYL)-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
3-METHYL-1-(2-(PIPERIDIN-4-YL)ETHYL)-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD18816320
【English Synonyms】
【Formula】
C11 H19 N3 O
【MolWeight】
209.291
【Inchi】
InChI=1S/C11H19N3O/c1-9-8-11(15)14(13-9)7-4-10-2-5-12-6-3-10/h10,12H,2-8H2,1H3
【InChIKey】
InChIKey=LLHNVFHGRZSNBM-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1)CCC2CCNCC2
【MOL File】
3-METHYL-1-(2-(PIPER….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-1-(2-(PIPERIDIN-4-YL)ETHYL)-1H-PYRAZOL-5(4H)-ONE.cml