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Home > Pyridines > 1178063-29-0
1178063-29-0 | 5-{[2-(1H-pyrazol-1-yl)pyridin-3-yl]carbamoyl}pentanoic acid
CAS No: 1178063-29-0 Catalog No: AG01ACEG MDL No:MFCD26407962
Product Description
Catalog Number:
AG01ACEG
Chemical Name:
5-{[2-(1H-pyrazol-1-yl)pyridin-3-yl]carbamoyl}pentanoic acid
CAS Number:
1178063-29-0
Molecular Formula:
C14H16N4O3
Molecular Weight:
288.3018
MDL Number:
MFCD26407962
IUPAC Name:
6-oxo-6-[(2-pyrazol-1-ylpyridin-3-yl)amino]hexanoic acid
InChI:
InChI=1S/C14H16N4O3/c19-12(6-1-2-7-13(20)21)17-11-5-3-8-15-14(11)18-10-4-9-16-18/h3-5,8-10H,1-2,6-7H2,(H,17,19)(H,20,21)
InChI Key:
XHNZWQRWZOSTLB-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccnc1n1cccn1)CCCCC(=O)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.307g/mol
Monoisotopic Mass:
288.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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