| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 2nd, 2006 | 14 | No |
Popular Name: 3-methyl-1-(4-methylphenyl)-4,5-dihydro-1h-pyrazol-5-one 3-methyl-1-(4-methylphenyl)-4,5-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1994-08-6 , 2046-03-9 , 35496-19-6 , 86-92-0 , [2046-03-9] , [86-92-0]
2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
3-Methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol
3-Methyl-1-(p-tolyl)-1H-pyrazol-5(4H)-one
3-Methyl-1-(p-tolyl)-1H-pyrazol-5-ol
3-Methyl-1-(p-tolyl)-2-pyrazolin-5-one
3-METHYL-1-P-TOLYL-5-PYRAZOLONE
3H-pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-methylphenyl)-
| 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) | 1.78 | 5.63 | -14.47 | 1 | 3 | 0 | 38 | 188.23 | 1 | ↓ |
| Ref Reference (pH 7) | 2.23 | 5.87 | -11.02 | 0 | 3 | 0 | 33 | 188.23 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.24 | 4.46 | -49.8 | 0 | 3 | -1 | 41 | 187.222 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 3.76 | -8.38 | 1 | 3 | 0 | 38 | 188.23 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 134 - 136 | KeyOrganics |
| MP | 138 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0370198A1; EP0417555A1; EP0417555B1; US5118814; US5138070 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US4153598; US4217272 | IBM Patent Data |
