| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2006 | 14 | No |
Popular Name: 2-(4-Aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one hydrochloride 2-(4-Aminophenyl)-5-methyl-2,4-d…
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CAS Numbers: 107430-44-4 , 305382-85-8 , 59994-27-3 , 6402-08-0 , [59994-27-3]
1-(4-aminophenyl)-3-methyl-1H-pyrazol-5-ol
2-(4-Amino-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-
2-(4-Amino-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one dihydrochloride
2-(4-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(4-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one dihydrochloride
2-(4-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one dihydrochloride hydrate
2-(4-aminophenyl)-5-methyl-2,4-dihydro-3h-pyrazol-3-onehydrochloride
| 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) | 0.86 | 3.07 | -11.58 | 2 | 4 | 0 | 59 | 189.218 | 1 | ↓ |
| Ref Reference (pH 7) | 0.41 | 2.82 | -15.28 | 3 | 4 | 0 | 64 | 189.218 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 1.68 | -50.6 | 2 | 4 | -1 | 67 | 188.21 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.86 | 0.9 | -8.16 | 3 | 4 | 0 | 64 | 189.218 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 274° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | US4248632; US4517254 | IBM Patent Data |
