| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2008 | 9 | Yes |
Popular Name: 3-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 3-Methyl-1,4,5,6-tetrahydropyrro…
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CAS Numbers: 1389264-31-6 , 945217-56-1 , [945217-56-1]
3-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole dihydrochloride
3-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazolehydrochloride
| 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) | -0.10 | 0.83 | -47.55 | 3 | 3 | 1 | 45 | 124.167 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.10 | -0.69 | -5.9 | 2 | 3 | 0 | 41 | 123.159 | 0 | ↓ |
| Hi High (pH 8-9.5) | -0.10 | -0.65 | -5.84 | 2 | 3 | 0 | 41 | 123.159 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.10 | 0.83 | -43.73 | 3 | 3 | 1 | 45 | 124.167 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.