518990-23-3
5-TERT-BUTYL 3-ETHYL 6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-3,5(4H)-DICARBOXYLATE
Name5-TERT-BUTYL 3-ETHYL 6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-3,5(4H)-DICARBOXYLATE
1Identification
【Name】
5-TERT-BUTYL 3-ETHYL 6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-3,5(4H)-DICARBOXYLATE
【CAS】
【MDL】
MFCD12028385
【English Synonyms】
【Formula】
C14 H21 N3 O4
【MolWeight】
295.337
【Inchi】
InChI=1S/C14H21N3O4/c1-5-20-12(18)11-9-8-17(7-6-10(9)15-16-11)13(19)21-14(2,3)4/h5-8H2,1-4H3,(H,15,16)
【InChIKey】
InChIKey=XLEGNBXLLFAJCK-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c2c([nH]n1)CCN(C2)C(=O)OC(C)(C)C
【MOL File】
5-TERT-BUTYL 3-ETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-TERT-BUTYL 3-ETHYL 6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-3,5(4H)-DICARBOXYLATE.cml