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

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

CAS No.:
2090493-52-8
Catalog Number:
AG01BKCJ
Molecular Formula:
C25H25N3O4
Molecular Weight:
431.4837
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Product Description
Catalog Number:
AG01BKCJ
Chemical Name:
3-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-3-yl)-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
2090493-52-8
Molecular Formula:
C25H25N3O4
Molecular Weight:
431.4837
MDL Number:
MFCD31559749
IUPAC Name:
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C25H25N3O4/c1-27-14-21(24(29)30)23(26-27)16-7-6-12-28(13-16)25(31)32-15-22-19-10-4-2-8-17(19)18-9-3-5-11-20(18)22/h2-5,8-11,14,16,22H,6-7,12-13,15H2,1H3,(H,29,30)
InChI Key:
WTNKQBDQVYLDRS-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)c1nn(cc1C(=O)O)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
681  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties