| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 9 | Yes |
Popular Name: 3-Isopropyl-2-pyrazolin-5-one 3-Isopropyl-2-pyrazolin-5-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 29211-67-4 , 385375-59-7 , N/A
3H-Pyrazol-3-one, 1,2-dihydro-5-(1-methylethyl)- (9CI)
5-Isopropyl-1,2-dihydro-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) | 1.50 | -1.58 | -6.33 | 2 | 3 | 0 | 49 | 126.159 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.05 | 1.4 | -16.59 | 2 | 3 | 0 | 49 | 126.159 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000051989A1 | IBM Patent Data |
