| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 16 | No |
Popular Name: 4-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid 4-(3-methyl-5-oxo-4,5-dihydro-1H…
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CAS Numbers: 60875-16-3 , [60875-16-3]
1-(4-Carboxylphenyl)-3-methyl-5-pyrazolone
4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoicacid
4-(3-Methyl-5-oxo-4,5-dihydro-pyrazol-1-yl)-benzoic acid
benzoic acid, 4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
| 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) | 1.69 | 5.75 | -55.99 | 0 | 5 | -1 | 73 | 217.204 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 285 - 287 | Enamine Building Blocks |
| MP | 285...287 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Purity | 90% min | APIChem |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US5738981 | IBM Patent Data |
