| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 14 | Yes |
Popular Name: 1-phenyl-1H-pyrazole-5-carboxylic acid 1-phenyl-1H-pyrazole-5-carboxyli…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1133-77-3 , [1133-77-3]
| 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) | 1.47 | 5.31 | -48.66 | 0 | 4 | -1 | 58 | 187.178 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 182 - 183 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
