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

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

CAS No.:
2091893-43-3
Catalog Number:
AG01BKCD
Molecular Formula:
C24H23N3O4
Molecular Weight:
417.4571
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BKCD
Chemical Name:
3-(1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperidin-3-yl)-1H-pyrazole-4-carboxylic acid
CAS Number:
2091893-43-3
Molecular Formula:
C24H23N3O4
Molecular Weight:
417.4571
MDL Number:
MFCD31558789
IUPAC Name:
5-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxylic acid
InChI:
InChI=1S/C24H23N3O4/c28-23(29)20-12-25-26-22(20)15-6-5-11-27(13-15)24(30)31-14-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-4,7-10,12,15,21H,5-6,11,13-14H2,(H,25,26)(H,28,29)
InChI Key:
OGUZHVSHTOLYLB-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)c1n[nH]cc1C(=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:
2  
Isotope Atom Count:
0
Molecular Weight:
417.465g/mol
Monoisotopic Mass:
417.169g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties