5-amino-1-tert-butyl-3-(4-chlorophenyl)pyrazole-4-carbonitrile


Chemical Name: 5-amino-1-tert-butyl-3-(4-chlorophenyl)pyrazole-4-carbonitrile
CAS Number: 180903-14-4
Product Number: AG0022G1(AGN-PC-0KKFRT)
Synonyms:
MDL No:
Molecular Formula: C14H15ClN4
Molecular Weight: 274.7487

Identification/Properties


Computed Properties
Molecular Weight:
274.752g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
274.099g/mol
Monoisotopic Mass:
274.099g/mol
Topological Polar Surface Area:
67.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
361
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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