| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 12 | Yes |
Popular Name: 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanoic acid 3-(3-methyl-5-oxo-4,5-dihydro-1H…
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CAS Numbers: 224568-17-6 , [224568-17-6]
3-(3-Methyl-5-oxo-4,5-dihydro-1 H -pyrazol-4-yl)-p
3-(3-Methyl-5-oxo-4,5-dihydro-1 H -pyrazol-4-yl)-propionic acid
3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-propanoic acid
3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-propionic acid
3-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-4-yl)-propionicacid
3-(5-Hydroxy-3-methyl-1H-pyrazol-4-yl)propanoic acid
| 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) | 0.32 | -0.87 | -47.7 | 2 | 5 | -1 | 89 | 169.16 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.32 | 0.63 | -113.23 | 1 | 5 | -2 | 92 | 168.152 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.