5-amino-3-benzyl-1-tert-butylpyrazole-4-carbonitrile


Chemical Name: 5-amino-3-benzyl-1-tert-butylpyrazole-4-carbonitrile
CAS Number: 158001-18-4
Product Number: AG001PVR(AGN-PC-041UFT)
Synonyms:
MDL No:
Molecular Formula: C15H18N4
Molecular Weight: 254.3302

Identification/Properties


Properties
Form:
Solid
Computed Properties
Molecular Weight:
254.337g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
254.153g/mol
Monoisotopic Mass:
254.153g/mol
Topological Polar Surface Area:
67.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
345
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

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NMR Spectrum


Other Analytical Data


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