Home Carboxys 3-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1-methyl-1H-pyrazole-5-carboxylic acid

3-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1-methyl-1H-pyrazole-5-carboxylic acid

CAS No.:
2137635-02-8
Catalog Number:
AG01EKOD
Molecular Formula:
C25H25N3O4
Molecular Weight:
431.4837
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Product Description
Catalog Number:
AG01EKOD
Chemical Name:
3-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-4-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
CAS Number:
2137635-02-8
Molecular Formula:
C25H25N3O4
Molecular Weight:
431.4837
MDL Number:
MFCD31559171
IUPAC Name:
5-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-2-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C25H25N3O4/c1-27-23(24(29)30)14-22(26-27)16-10-12-28(13-11-16)25(31)32-15-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-9,14,16,21H,10-13,15H2,1H3,(H,29,30)
InChI Key:
TVXAUXNKGSQQNH-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)c1nn(c(c1)C(=O)O)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
673  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.185g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
431.492g/mol
Monoisotopic Mass:
431.185g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties