ethyl 5-amino-4-cyano-1-(4-fluorophenyl)pyrazole-3-carboxylate


Chemical Name: ethyl 5-amino-4-cyano-1-(4-fluorophenyl)pyrazole-3-carboxylate
CAS Number: 1001665-65-1
Product Number: AG00014K(AGN-PC-07XU76)
Synonyms:
MDL No:
Molecular Formula: C13H11FN4O2
Molecular Weight: 274.2504

Identification/Properties


Properties
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
274.255g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
274.087g/mol
Monoisotopic Mass:
274.087g/mol
Topological Polar Surface Area:
93.9A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
402
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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