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

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

CAS No.:
2137821-77-1
Catalog Number:
AG01EKW6
Molecular Formula:
C21H19N3O4
Molecular Weight:
377.3933
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Product Description
Catalog Number:
AG01EKW6
Chemical Name:
3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-1-methyl-1H-pyrazole-5-carboxylic acid
CAS Number:
2137821-77-1
Molecular Formula:
C21H19N3O4
Molecular Weight:
377.3933
MDL Number:
MFCD31559356
IUPAC Name:
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C21H19N3O4/c1-24-19(20(25)26)10-13(23-24)11-22-21(27)28-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-10,18H,11-12H2,1H3,(H,22,27)(H,25,26)
InChI Key:
DQEJMWHZJRIZOA-UHFFFAOYSA-N
SMILES:
O=C(NCc1nn(c(c1)C(=O)O)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
564  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.138g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
377.4g/mol
Monoisotopic Mass:
377.138g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties