| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 23rd, 2005 | 14 | Yes |
Popular Name: 4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine 4-(4-chlorophenyl)-3-methyl-1H-p…
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CAS Numbers: 214416-39-4 , [214416-39-4]
4-(4-Chloro-phenyl)-5-methyl-2H-pyrazol-3-ylamine
4-(4-chlorophenyl)-5-methyl-2H-pyrazol-3-ylamine
| 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) | 2.55 | 4.6 | -5.41 | 3 | 3 | 0 | 55 | 207.664 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 4.54 | -10.55 | 2 | 3 | 0 | 51 | 207.664 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 4.55 | -10.67 | 2 | 3 | 0 | 51 | 207.664 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 4.61 | -5.61 | 3 | 3 | 0 | 55 | 207.664 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.55 | 4.78 | -31.54 | 4 | 3 | 1 | 56 | 208.672 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
