| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 11 | Yes |
Popular Name: 2-(1H-pyrazol-3-yl)piperazine 2-(1H-pyrazol-3-yl)piperazine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 111781-55-6 , [111781-55-6]
| 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) | -0.40 | -1.21 | -38.89 | 4 | 4 | 1 | 57 | 153.209 | 1 | ↓ |
| Lo Low (pH 4.5-6) | -0.40 | 0.16 | -125.47 | 5 | 4 | 2 | 62 | 154.217 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 124 - 125 | KeyOrganics |
| MP | 124-125° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0230053A2; US4940710; US5210193 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.