| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 8 | Yes |
Popular Name: 5-Amino-1H-pyrazole-3-carbonitrile 5-Amino-1H-pyrazole-3-carbonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 125144-04-9 , [125144-04-9]
| 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) | -0.08 | 0.09 | -7.26 | 3 | 4 | 0 | 78 | 108.104 | 0 | ↓ |
| Ref Reference (pH 7) | -0.52 | 0.77 | -41.7 | 3 | 4 | 1 | 76 | 109.112 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.52 | 0.64 | -11.88 | 2 | 4 | 0 | 75 | 108.104 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 0.11 | -5.29 | 3 | 4 | 0 | 78 | 108.104 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 120 - 121 | KeyOrganics |
| MP | 120-121° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0942904A1; WO1998024769A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.