57037-77-1
3-AMINO-1-(1-(3-CHLORO-4-METHYLPHENYL)ETHYL)-1H-PYRAZOL-5(4H)-ONE
Name3-AMINO-1-(1-(3-CHLORO-4-METHYLPHENYL)ETHYL)-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
3-AMINO-1-(1-(3-CHLORO-4-METHYLPHENYL)ETHYL)-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD20227778
【English Synonyms】
【Formula】
C12 H14 Cl N3 O
【MolWeight】
251.716
【Inchi】
InChI=1S/C12H14ClN3O/c1-7-3-4-9(5-10(7)13)8(2)16-12(17)6-11(14)15-16/h3-5,8H,6H2,1-2H3,(H2,14,15)
【InChIKey】
InChIKey=WSGSXFHVOOGVCV-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1Cl)C(C)N2C(=O)CC(=N2)N
【MOL File】
3-AMINO-1-(1-(3-CHLO….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-AMINO-1-(1-(3-CHLORO-4-METHYLPHENYL)ETHYL)-1H-PYRAZOL-5(4H)-ONE.cml