| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 10 | No |
Popular Name: 1-methyl-3-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one 1-methyl-3-(propan-2-yl)-4,5-dih…
Find On: PubMed — Wikipedia — Google
CAS Number: 29939-24-0
1-methyl-3-(propan-2-yl)-1H-pyrazol-5-ol
| 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) | 0.83 | 3.1 | -7.99 | 0 | 3 | 0 | 33 | 140.186 | 1 | ↓ |
| Ref Reference (pH 7) | 1.11 | 2.73 | -11.96 | 1 | 3 | 0 | 38 | 140.186 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 1.46 | -44.32 | 0 | 3 | -1 | 41 | 139.178 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.57 | 0.7 | -6.26 | 1 | 3 | 0 | 38 | 140.186 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0511826A2; EP0511826B1; US5272128; US5500405 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US5840654; WO1994022833A1 | IBM Patent Data |
