| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 15 | No |
Popular Name: 4-(1-Methyl-1 H -pyrazol-4-yl)-2,4-dioxo-butyric acid methyl ester 4-(1-Methyl-1 H -pyrazol-4-yl)-2…
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CAS Number: 875554-21-5
4-(1-Methyl-1 H -pyrazol-4-yl)-2,4-dioxo-butyric a
4-(1-Methyl-1H-pyrazol-4-yl)-2,4-dioxo-butyric acid methyl ester
| 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) | -0.12 | 4.08 | -47.91 | 0 | 6 | -1 | 84 | 209.181 | 4 | ↓ |
| Ref Reference (pH 7) | 0.33 | 4.2 | -46.23 | 0 | 6 | -1 | 84 | 209.181 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.86 | 4.23 | -16.85 | 0 | 6 | 0 | 78 | 210.189 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.