54708-74-6
1-(3-CHLOROPHENYL)-N-(2-HYDROXYETHYL)-5-METHOXY-1H-PYRAZOLE-3-CARBOXAMIDE
Name1-(3-CHLOROPHENYL)-N-(2-HYDROXYETHYL)-5-METHOXY-1H-PYRAZOLE-3-CARBOXAMIDE
1Identification
【Name】
1-(3-CHLOROPHENYL)-N-(2-HYDROXYETHYL)-5-METHOXY-1H-PYRAZOLE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD01693630
【English Synonyms】
【Formula】
C13 H14 Cl N3 O3
【MolWeight】
295.725
【Inchi】
InChI=1S/C13H14ClN3O3/c1-20-12-8-11(13(19)15-5-6-18)16-17(12)10-4-2-3-9(14)7-10/h2-4,7-8,18H,5-6H2,1H3,(H,15,19)
【InChIKey】
InChIKey=XJOCXJRRQCMGND-UHFFFAOYSA-N
【SMILES】
COc1cc(nn1c2cccc(c2)Cl)C(=O)NCCO
【MOL File】
1-(3-CHLOROPHENYL)-N….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-CHLOROPHENYL)-N-(2-HYDROXYETHYL)-5-METHOXY-1H-PYRAZOLE-3-CARBOXAMIDE.cml