| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 17 | Yes |
Popular Name: Ethyl 3-methyl-1-phenyl-1H-pyrazole-4-carboxylate Ethyl 3-methyl-1-phenyl-1H-pyraz…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 113502-46-8 , [113502-46-8]
| 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) | 2.02 | 7.82 | -8.72 | 0 | 4 | 0 | 44 | 230.267 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.