| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2008 | 7 | No |
Popular Name: 1H-Pyrazole-5-carbaldehyde 1H-Pyrazole-5-carbaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 209002-03-9 , 3920-50-1 , 948552-36-1 , 948552-36-1; . , [3920-50-1] , [948552-36-1]
1H-Pyrazole-3-carbaldehyde,dimer
Pyrazole-3-carboxaldehyde, containing oligomers
| 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) | 0.35 | 0.71 | -11.49 | 1 | 3 | 0 | 46 | 96.089 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 139 - 141 | Enamine Building Blocks |
| MP | 139...141 | Enamine Building Blocks |
| MP | 142-144° | Matrix Scientific |
| MP | 145-147° | Oakwood Chemical |
| BP | 300° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0094348A1; EP0193013A2; EP0270926A2; EP0270926B1; EP0449699A2; EP0449699A3; EP0485471B1; EP0527181A1; EP0723533A1; EP0850221A1; EP0927766A1; EP0951561A1; EP0957083A2; US4014889; US4035395; US4299769; US4342689; US4342690; US4342691; US4344956; US4566901 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Store in Freezer | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.