| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 16 | No |
Popular Name: Methyl 4-(1-ethyl-1H-pyrazol-4-yl)-2,4-dioxobutanoate Methyl 4-(1-ethyl-1H-pyrazol-4-y…
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CAS Numbers: , 1006483-29-9 , [1006483-29-9]
1H-pyrazole-4-butanoic acid, 1-ethyl-alpha,gamma-dioxo-, methyl ester
4-(1-Ethyl-1 H -pyrazol-4-yl)-2,4-dioxo-butyric ac
4-(1-Ethyl-1 H -pyrazol-4-yl)-2,4-dioxo-butyric acid methyl ester
4-(1-Ethyl-1H-pyrazol-4-yl)-2,4-dioxo-butyric acid methyl ester
methyl4-(1-ethyl-1h-pyrazol-4-yl)-2,4-dioxobutanoate
METHYLETHYLPYRAZOLYLDIOXOBUTANOAT
sodium 1H-pyrazole-4-butanoic acid, 1-ethyl-alpha,gamma-dioxo-, methyl ester
sodium methyl 4-(1-ethyl-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) | 0.26 | 4.96 | -47.86 | 0 | 6 | -1 | 84 | 223.208 | 5 | ↓ |
| Ref Reference (pH 7) | 0.71 | 5.05 | -46.23 | 0 | 6 | -1 | 84 | 223.208 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.48 | 5.09 | -16.32 | 0 | 6 | 0 | 78 | 224.216 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.