| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2005 | 16 | Yes |
Popular Name: 4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-amine 4-(3,4-dimethoxyphenyl)-1H-pyraz…
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CAS Numbers: , 278600-50-3 , [278600-50-3]
1H-pyrazol-5-amine, 4-(3,4-dimethoxyphenyl)-
| 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) | 1.30 | 2.79 | -9.31 | 3 | 5 | 0 | 73 | 219.244 | 3 | ↓ |
| Ref Reference (pH 7) | 1.30 | 2.77 | -9.84 | 3 | 5 | 0 | 73 | 219.244 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 2.95 | -38.71 | 4 | 5 | 1 | 74 | 220.252 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 143-146 lit | KeyOrganics |
| melting_point | 147 - 148 | KeyOrganics |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.