| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2005 | 11 | Yes |
Popular Name: 5-AMINO-4-CYANO-3-CYANOMETHYLPYRAZOLE 5-AMINO-4-CYANO-3-CYANOMETHYLPYR…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 54711-21-6 , [54711-21-6]
3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile
5-Amino-3-(cyanomethyl)-1H-pyrazol-4-yl cyanide
5-amino-3-(cyanomethyl)-1h-pyrazole-4-carbonitrile
5-Amino-3-cyanomethyl-1H-pyrazole-4-carbonitrile
5-Amino-4-cyano-1H-pyrazole-3-acetonitrile
5-Amino-4-cyano-3-(cyanomethyl)pyrazole
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.19 | 1.32 | -12.45 | 3 | 5 | 0 | 102 | 147.141 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 197 - 198 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0748219A1; US5712395; US5763441; US5792771; US5849742; US5981569 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
