| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 12th, 2008 | 7 | Yes |
Popular Name: 5-chloro-3-methyl-1H-pyrazole 5-chloro-3-methyl-1H-pyrazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 15953-45-4 , [15953-45-4]
| 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) | 1.34 | 1.95 | -3.41 | 1 | 2 | 0 | 29 | 116.551 | 0 | ↓ |
| Ref Reference (pH 7) | 1.26 | 2.23 | -9.21 | 0 | 2 | 0 | 25 | 116.551 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.34 | 1.95 | -5.31 | 1 | 2 | 0 | 29 | 116.551 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0562833A1; EP0562833B1; US5616579 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US4310619 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.