| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2004 | 6 | Yes |
Popular Name: 4-Chloro-1H-pyrazole 4-Chloro-1H-pyrazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 15678-00-9 , 15878-00-9 , [15878-00-9]
1H-Pyrazole, 4-chloro-; 4-Chloropyrazole; BRN 0106355; L-21842; LS-128389; Pyrazole, 4-chloro-
| 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) | 0.93 | 1.48 | -4.69 | 1 | 2 | 0 | 29 | 102.524 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 65 - 67 | Enamine Building Blocks |
| MP | 65...67 | Enamine Building Blocks |
| MP | 75-76° | Matrix Scientific |
| MP | 76-77° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0006541A2; EP0034831A2; EP0160804A1; EP0256537A2; EP0256537B1; EP0281118A2; EP0281118B1; EP0379894A2; EP0402751A1; EP0402751B1; EP0456257A1; EP0459349B1; EP0476659A1; EP0490224A2; EP0490224B1; EP0500043B1; EP0527378A1; EP0527378B1; EP0527380A1; EP052738 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0562833A1; EP0562833B1; US5269815; US5616579 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.