| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 30th, 2007 | 15 | Yes |
Popular Name: 2-(3,4-Dimethylphenyl)-5-methyl-1H-pyrazol-3(2H)-one 2-(3,4-Dimethylphenyl)-5-methyl-…
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CAS Numbers: 18048-64-1 , 277299-70-4 , [18048-64-1] , [277299-70-4]
1-(3,4-Dimethylphenyl)-3-methyl-1H-pyrazol-5(4H)-one
1-(3,4-Dimethylphenyl)-3-methyl-3-pyrazolin-5-one
1H-pyrazol-3(2H)-one,2-(3,4-Dimethylphenyl)-5-meth
1H-pyrazol-3(2H)-one,2-(3,4-Dimethylphenyl)-5-methyl-
2-(3,4-Dimethylphenyl)-1,2-dihydro-5-methyl-3H-pyrazol-3-one
| 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) | 2.37 | 6.17 | -14.85 | 1 | 3 | 0 | 38 | 202.257 | 1 | ↓ |
| Ref Reference (pH 7) | 2.60 | 6.42 | -11.38 | 0 | 3 | 0 | 33 | 202.257 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.82 | 4.3 | -8.68 | 1 | 3 | 0 | 38 | 202.257 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
