| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 16 | No |
Popular Name: Methyl 4-(1,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxobutanoate Methyl 4-(1,5-dimethyl-1H-pyrazo…
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CAS Numbers: , 1005585-96-5 , [1005585-96-5]
1H-pyrazole-4-butanoic acid, 1,5-dimethyl-alpha,gamma-dioxo-, methyl ester
4-(1,5-Dimethyl-1 H -pyrazol-4-yl)-2,4-dioxo-butyr
4-(1,5-Dimethyl-1 H -pyrazol-4-yl)-2,4-dioxo-butyric acid methyl ester
4-(1,5-Dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-butyric acid methyl ester
Methyl4-(1,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxobutanoate
| 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) | 0.11 | 4.51 | -48.24 | 0 | 6 | -1 | 84 | 223.208 | 4 | ↓ |
| Ref Reference (pH 7) | 0.55 | 4.74 | -46.24 | 0 | 6 | -1 | 84 | 223.208 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.64 | 4.79 | -15.96 | 0 | 6 | 0 | 78 | 224.216 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.