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Home Carboxys Ethyl 5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylate

Ethyl 5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylate

CAS No.:
138907-68-3
Catalog Number:
AG0019SC
Molecular Formula:
C12H12FN3O2
Molecular Weight:
249.2410
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$128
- +
1g
98%
In Stock USA
United States
$137
- +
Product Description
Catalog Number:
AG0019SC
Chemical Name:
Ethyl 5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylate
CAS Number:
138907-68-3
Molecular Formula:
C12H12FN3O2
Molecular Weight:
249.2410
MDL Number:
MFCD00173917
IUPAC Name:
ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H12FN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3
InChI Key:
RPPPCKSHIYWAPW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1N)c1ccc(cc1)F
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.091g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.245g/mol
Monoisotopic Mass:
249.091g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties