5-Amino-1-tert-butyl-3-(3-bromobenzyl)-1H-pyrazole-4-carbonitrile - CAS 1428640-42-9
Catalog: |
BB074952 |
Product Name: |
5-Amino-1-tert-butyl-3-(3-bromobenzyl)-1H-pyrazole-4-carbonitrile |
CAS: |
1428640-42-9 |
Synonyms: |
5-Amino-1-tert-butyl-3-(3-bromobenzyl)-1H-pyrazole-4-carbonitrile; 5-amino-3-[(3-bromophenyl)methyl]-1-tert-butylpyrazole-4-carbonitrile |
IUPAC Name: | 5-amino-3-[(3-bromophenyl)methyl]-1-tert-butylpyrazole-4-carbonitrile |
Description: | Intermediate in the preparation of Akt inhibitors. |
Molecular Weight: | 333.23 |
Molecular Formula: | C15H17BrN4 |
Canonical SMILES: | CC(C)(C)N1C(=C(C(=N1)CC2=CC(=CC=C2)Br)C#N)N |
InChI: | InChI=1S/C15H17BrN4/c1-15(2,3)20-14(18)12(9-17)13(19-20)8-10-5-4-6-11(16)7-10/h4-7H,8,18H2,1-3H3 |
InChI Key: | GMHGAIGFZZOHOG-UHFFFAOYSA-N |
Melting Point: | 85-87°C |
Solubility: | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow to Yellow Solid |
Storage: | -20°C, Inert atmosphere |
Complexity: | 383 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 332.06366 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 332.06366 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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