| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 8th, 2008 | 15 | No |
Popular Name: 5-Oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid 5-Oxo-1-phenyl-4,5-dihydro-1H-py…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 119-18-6 , 49597-17-3
1-Phenyl-5-pyrazolone-3-carboxylic Acid
5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylic acid
5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylic acid
5-Oxo-1-phenyl-2-pyrazolin-3-carboxylic acid
5-Oxo-1-phenyl-4,5-dihydro-1 H -pyrazole-3-carboxy
| 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) | 1.38 | 3 | -53.63 | 1 | 5 | -1 | 78 | 203.177 | 2 | ↓ |
| Ref Reference (pH 7) | 0.65 | 5.06 | -40.89 | 0 | 5 | -1 | 73 | 203.177 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 260°(dec) | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US5750550; WO1997010243A1 | IBM Patent Data |
