| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2006 | 15 | No |
Popular Name: 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde 5-hydroxy-3-methyl-1-phenyl-1H-p…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 60484-29-9 , [60484-29-9]
1H-pyrazole-4-carboxaldehyde, 5-hydroxy-3-methyl-1-phenyl-
4-Trifluoroacetyl-3-Methyl-1-Phenyl-5-Pyrazolone [1691-93-6]
5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde
| 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) | 1.05 | 5.11 | -27.11 | 1 | 4 | 0 | 55 | 202.213 | 2 | ↓ |
| Ref Reference (pH 7) | 1.50 | 3.47 | -10.84 | 1 | 4 | 0 | 55 | 202.213 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0159962A2; US3988323; US4065481; US4144258; US4678851; US4680385; US5610305 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
