| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 24th, 2010 | 14 | Yes |
Popular Name: 2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid 2-(4-ethyl-3,5-dimethyl-1H-pyraz…
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CAS Numbers: , 1217862-44-6
1H-pyrazole-1-acetic acid, 4-ethyl-alpha,3,5-trimethyl-
2-(4-Ethyl-3,5-dimethyl-1H-pyrazol-1-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) | 1.28 | 6.26 | -50.79 | 0 | 4 | -1 | 58 | 195.242 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.28 | 6.38 | -31.62 | 1 | 4 | 0 | 59 | 196.25 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.