477854-40-3
5-(4-METHOXY-BENZYL)-4-OXO-4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE-2-CARBOXYLIC ACID
Name5-(4-METHOXY-BENZYL)-4-OXO-4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE-2-CARBOXYLIC ACID
1Identification
【Name】
5-(4-METHOXY-BENZYL)-4-OXO-4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD02083066
【English Synonyms】
【Formula】
C15 H15 N3 O4
【MolWeight】
301.301
【Inchi】
InChI=1S/C15H15N3O4/c1-22-11-4-2-10(3-5-11)9-17-6-7-18-13(14(17)19)8-12(16-18)15(20)21/h2-5,8H,6-7,9H2,1H3,(H,20,21)
【InChIKey】
InChIKey=KUYNHQUMVLCYFW-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)CN2CCn3c(cc(n3)C(=O)O)C2=O
【MOL File】
5-(4-METHOXY-BENZYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-(4-METHOXY-BENZYL)-4-OXO-4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE-2-CARBOXYLIC ACID.cml