| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 11th, 2006 | 14 | Yes |
Popular Name: 3-methyl-1-(2-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one 3-methyl-1-(2-methylphenyl)-4,5-…
Find On: PubMed — Wikipedia — Google
CAS Number: 29211-55-0
5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
| 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) | 2.18 | 6.16 | -11.64 | 0 | 3 | 0 | 33 | 188.23 | 1 | ↓ |
| Ref Reference (pH 7) | 1.94 | 5.97 | -14.77 | 1 | 3 | 0 | 38 | 188.23 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.40 | 3.95 | -8.17 | 1 | 3 | 0 | 38 | 188.23 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US4153598; US4217272 | IBM Patent Data |
