| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 13 | Yes |
Popular Name: 1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid 1-Methyl-5-(trifluoromethyl)-1H-…
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CAS Numbers: , 481065-92-3
1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylicacid
1-Methyl-5-trifluoromethyl-1 H -pyrazole-3-carboxy
1-Methyl-5-trifluoromethyl-1H-pyrazole-3-carboxylic acid
| 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) | 1.33 | 2.77 | -48.72 | 0 | 4 | -1 | 58 | 193.104 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 127 - 129 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 127-129° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.