Home Carboxys 3-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1H-pyrazole-4-carboxylic acid

3-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1H-pyrazole-4-carboxylic acid

CAS No.:
1803610-69-6
Catalog Number:
AG01B7YH
Molecular Formula:
C14H21N3O4
Molecular Weight:
295.3342
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Product Description
Catalog Number:
AG01B7YH
Chemical Name:
3-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-1H-pyrazole-4-carboxylic acid
CAS Number:
1803610-69-6
Molecular Formula:
C14H21N3O4
Molecular Weight:
295.3342
MDL Number:
MFCD28145565
IUPAC Name:
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C14H21N3O4/c1-14(2,3)21-13(20)17-6-4-5-9(8-17)11-10(12(18)19)7-15-16-11/h7,9H,4-6,8H2,1-3H3,(H,15,16)(H,18,19)
InChI Key:
VGSGJTQWUGFETH-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)c1n[nH]cc1C(=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:
2  
Isotope Atom Count:
0
Molecular Weight:
295.339g/mol
Monoisotopic Mass:
295.153g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties