Home Carboxys 1-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1H-pyrazole-3-carboxylic acid

1-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1H-pyrazole-3-carboxylic acid

CAS No.:
1803561-36-5
Catalog Number:
AG01AGDH
Molecular Formula:
C14H21N3O4
Molecular Weight:
295.3342
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Product Description
Catalog Number:
AG01AGDH
Chemical Name:
1-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1H-pyrazole-3-carboxylic acid
CAS Number:
1803561-36-5
Molecular Formula:
C14H21N3O4
Molecular Weight:
295.3342
MDL Number:
MFCD28023697
IUPAC Name:
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazole-3-carboxylic acid
InChI:
InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)16-7-4-5-10(9-16)17-8-6-11(15-17)12(18)19/h6,8,10H,4-5,7,9H2,1-3H3,(H,18,19)
InChI Key:
VWQWGHVXURBZQG-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)n1ccc(n1)C(=O)O)OC(C)(C)C
Properties
Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.153g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
295.339g/mol
Monoisotopic Mass:
295.153g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties