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1449117-46-7 | 1H-Pyrazole-4-carboxylic acid, 1-[4-(2-oxo-1-piperidinyl)-2-pyridinyl]-, ethyl ester
CAS No: 1449117-46-7 Catalog No: AG001KBO MDL No:MFCD25970585
Product Description
Catalog Number:
AG001KBO
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-[4-(2-oxo-1-piperidinyl)-2-pyridinyl]-, ethyl ester
CAS Number:
1449117-46-7
Molecular Formula:
C16H18N4O3
Molecular Weight:
314.3391
MDL Number:
MFCD25970585
IUPAC Name:
ethyl 1-[4-(2-oxopiperidin-1-yl)pyridin-2-yl]pyrazole-4-carboxylate
InChI:
InChI=1S/C16H18N4O3/c1-2-23-16(22)12-10-18-20(11-12)14-9-13(6-7-17-14)19-8-4-3-5-15(19)21/h6-7,9-11H,2-5,8H2,1H3
InChI Key:
LJRIHSPOPONJJR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1)c1nccc(c1)N1CCCCC1=O
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.138g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.345g/mol
Monoisotopic Mass:
314.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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