940925-47-3
6-PHENYL-1,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-C]PYRIDINE-5-CARBOXYLIC ACID TERT-BUTYL ESTER
Name6-PHENYL-1,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-C]PYRIDINE-5-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
6-PHENYL-1,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-C]PYRIDINE-5-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD16251035
【English Synonyms】
【Formula】
C17 H21 N3 O2
【MolWeight】
299.372
【Inchi】
InChI=1S/C17H21N3O2/c1-17(2,3)22-16(21)20-11-13-10-18-19-14(13)9-15(20)12-7-5-4-6-8-12/h4-8,10,15H,9,11H2,1-3H3,(H,18,19)
【InChIKey】
InChIKey=HRNNWJHAGDNBQH-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1Cc2cn[nH]c2CC1c3ccccc3
【MOL File】
6-PHENYL-1,4,6,7-TET….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
6-PHENYL-1,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-C]PYRIDINE-5-CARBOXYLIC ACID TERT-BUTYL ESTER.cml