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

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

CAS No.:
2091896-93-2
Catalog Number:
AG01BKCK
Molecular Formula:
C24H23N3O4
Molecular Weight:
417.4571
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Product Description
Catalog Number:
AG01BKCK
Chemical Name:
1-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-3-yl)-1H-pyrazole-4-carboxylic acid
CAS Number:
2091896-93-2
Molecular Formula:
C24H23N3O4
Molecular Weight:
417.4571
MDL Number:
MFCD31559753
IUPAC Name:
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
InChI:
InChI=1S/C24H23N3O4/c28-23(29)16-12-25-27(13-16)17-6-5-11-26(14-17)24(30)31-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,12-13,17,22H,5-6,11,14-15H2,(H,28,29)
InChI Key:
ZPSYNRLJRRDQCX-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)n1ncc(c1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
651  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.169g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
417.465g/mol
Monoisotopic Mass:
417.169g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties