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

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

CAS No.:
1803586-08-4
Catalog Number:
AG01ALL8
Molecular Formula:
C18H21N3O4
Molecular Weight:
343.3770
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Product Description
Catalog Number:
AG01ALL8
Chemical Name:
3-{1-[(benzyloxy)carbonyl]piperidin-3-yl}-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1803586-08-4
Molecular Formula:
C18H21N3O4
Molecular Weight:
343.3770
MDL Number:
MFCD28968209
IUPAC Name:
1-methyl-3-(1-phenylmethoxycarbonylpiperidin-3-yl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C18H21N3O4/c1-20-11-15(17(22)23)16(19-20)14-8-5-9-21(10-14)18(24)25-12-13-6-3-2-4-7-13/h2-4,6-7,11,14H,5,8-10,12H2,1H3,(H,22,23)
InChI Key:
SGANCOBZEIXPKJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)c1nn(cc1C(=O)O)C)OCc1ccccc1
Properties
Complexity:
481  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.153g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
343.383g/mol
Monoisotopic Mass:
343.153g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties