2-Amino-4-(4-methylphenyl)-1H-pyrrole-3-carbonitrile - CAS 120450-05-7
Catalog: |
BB074571 |
Product Name: |
2-Amino-4-(4-methylphenyl)-1H-pyrrole-3-carbonitrile |
CAS: |
120450-05-7 |
Synonyms: |
2-Amino-4-(p-tolyl)-1H-pyrrole-3-carbonitrile; 2-amino-4-(4-methylphenyl)-1H-pyrrole-3-carbonitrile; 2-amino-4-p-tolyl-1H-pyrrole-3-carbonitrile |
IUPAC Name: | 2-amino-4-(4-methylphenyl)-1H-pyrrole-3-carbonitrile |
Description: | Intermediate in the preparation of azaheteroarylacrylamide derivatives for use as kinase inhibitors. |
Molecular Weight: | 197.24 |
Molecular Formula: | C12H11N3 |
Canonical SMILES: | CC1=CC=C(C=C1)C2=CNC(=C2C#N)N |
InChI: | InChI=1S/C12H11N3/c1-8-2-4-9(5-3-8)11-7-15-12(14)10(11)6-13/h2-5,7,15H,14H2,1H3 |
InChI Key: | HWOHHBHQMXCJJK-UHFFFAOYSA-N |
Melting Point: | >177°C (dec.) |
Solubility: | Acetonitrile (Slightly), Methanol (Slightly) |
Appearance: | Light Grey Solid |
Storage: | -20°C |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.095297364 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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