| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 12 | Yes |
Popular Name: 5-Methyl-3-phenyl-1H-pyrazole 5-Methyl-3-phenyl-1H-pyrazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3347-62-4 , [3347-62-4]
3-Methyl-5-phenylpyrazole hydrochloride; LS-128539; Pyrazole, 3-methyl-5-phenyl-, hydrochloride
| 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) | 2.21 | 5.06 | -5.7 | 1 | 2 | 0 | 29 | 158.204 | 1 | ↓ |
| Ref Reference (pH 7) | 2.21 | 5.09 | -7.07 | 1 | 2 | 0 | 29 | 158.204 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 123 - 125 | Enamine Building Blocks |
| MP | 123...125 | Enamine Building Blocks |
| Melting_Point | 124-127? | Alfa-Aesar |
| Melting_Point | 124-127° | Alfa-Aesar |
| MP | 126-127° | Matrix Scientific |
| mp | 127 - 128 | MolMall (formerly Molecular Diversity Preservation International) |
| melting_point | 135 - 136 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.