5-amino-1-tert-butyl-3-naphthalen-1-ylpyrazole-4-carbonitrile


Chemical Name: 5-amino-1-tert-butyl-3-naphthalen-1-ylpyrazole-4-carbonitrile
CAS Number: 221243-34-1
Product Number: AG00C35D(AGN-PC-09RMQC)
Synonyms:
MDL No:
Molecular Formula: C18H18N4
Molecular Weight: 290.36232

Identification/Properties


Computed Properties
Molecular Weight:
290.37g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
290.153g/mol
Monoisotopic Mass:
290.153g/mol
Topological Polar Surface Area:
67.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
446
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


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