| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2007 | 11 | Yes |
Popular Name: methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate methyl 4-bromo-5-methyl-1H-pyraz…
Find On: PubMed — Wikipedia — Google
CAS Number: 1232838-31-1
1H-pyrazole-3-carboxylic acid, 4-bromo-5-methyl-, methyl ester
methyl 4-bromo-3-methyl-1H-pyrazole-5-carboxylate
methyl4-bromo-5-methyl-1h-pyrazole-3-carboxylate
| 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) | 1.35 | 2.75 | -8.53 | 1 | 4 | 0 | 55 | 219.038 | 2 | ↓ |
| Ref Reference (pH 7) | 1.35 | 2.76 | -5.37 | 1 | 4 | 0 | 55 | 219.038 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 148 - 150 | Enamine Building Blocks |
| MP | 148...150 | Enamine Building Blocks |
| melting_point | 150 - 152 | KeyOrganics |
| MP | 150-152° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.