| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 16th, 2009 | 10 | Yes |
Popular Name: 1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carbonitrile 1H,4H,5H,6H-cyclopenta[c]pyrazol…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 851776-29-9 , [851776-29-9]
1,4,5,6-tetrahydro-3-cyclopentapyrazolecarbonitrile
| 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) | 0.97 | 3.26 | -7.45 | 1 | 3 | 0 | 52 | 133.154 | 0 | ↓ |
| Ref Reference (pH 7) | 0.97 | 3.15 | -5.26 | 1 | 3 | 0 | 52 | 133.154 | 0 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 3.01 | -34.51 | 0 | 3 | -1 | 51 | 132.146 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 179-182° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | 97% | Matrix Scientific |
| Purity | >97% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.