54708-72-4
1-(3-CHLOROPHENYL)-N-ETHYL-5-METHOXY-1H-PYRAZOLE-3-CARBOXAMIDE
Name1-(3-CHLOROPHENYL)-N-ETHYL-5-METHOXY-1H-PYRAZOLE-3-CARBOXAMIDE
1Identification
【Name】
1-(3-CHLOROPHENYL)-N-ETHYL-5-METHOXY-1H-PYRAZOLE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD01693629
【English Synonyms】
【Formula】
C13 H14 Cl N3 O2
【MolWeight】
279.726
【Inchi】
InChI=1S/C13H14ClN3O2/c1-3-15-13(18)11-8-12(19-2)17(16-11)10-6-4-5-9(14)7-10/h4-8H,3H2,1-2H3,(H,15,18)
【InChIKey】
InChIKey=HOARRELMHKQDGK-UHFFFAOYSA-N
【SMILES】
CCNC(=O)c1cc(n(n1)c2cccc(c2)Cl)OC
【MOL File】
1-(3-CHLOROPHENYL)-N….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-CHLOROPHENYL)-N-ETHYL-5-METHOXY-1H-PYRAZOLE-3-CARBOXAMIDE.cml