| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | No |
Popular Name: 1,3,5-Trimethyl-1H-pyrazole-4-carbaldehyde 1,3,5-Trimethyl-1H-pyrazole-4-ca…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2644-93-1 , [2644-93-1]
"1,3,5-Trimethyl-1H-pyrazole-4-carboxaldehyde, 97%"
1,3,5-trimethyl-1h-pyrazole-4-carboxaldehyde
| 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) | 0.55 | 3.11 | -11.18 | 0 | 3 | 0 | 35 | 138.17 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 132?/12mm | Alfa-Aesar |
| Boiling_Point | 132°/12mm | Alfa-Aesar |
| Mp [°C] | 71 - 74 | Acros Organics |
| melting_point | 75 - 78 | KeyOrganics |
| Melting_Point | 80-83? | Alfa-Aesar |
| Melting_Point | 80-83° | Alfa-Aesar |
| MP | 81 - 83 | Enamine Building Blocks |
| MP | 81...83 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0000392A2; EP1020441A1; US4215118; US4338434 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.