57037-81-7
3-METHYL-1-(1-(PYRIDIN-4-YL)ETHYL)-1H-PYRAZOL-5(4H)-ONE
Name3-METHYL-1-(1-(PYRIDIN-4-YL)ETHYL)-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
3-METHYL-1-(1-(PYRIDIN-4-YL)ETHYL)-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD20227513
【English Synonyms】
【Formula】
C11 H13 N3 O
【MolWeight】
203.244
【Inchi】
InChI=1S/C11H13N3O/c1-8-7-11(15)14(13-8)9(2)10-3-5-12-6-4-10/h3-6,9H,7H2,1-2H3
【InChIKey】
InChIKey=RXDKJZJLRKEWCD-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1)C(C)c2ccncc2
【MOL File】
3-METHYL-1-(1-(PYRID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-1-(1-(PYRIDIN-4-YL)ETHYL)-1H-PYRAZOL-5(4H)-ONE.cml