| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 10 | Yes |
Popular Name: 5-amino-3-methyl-1H-pyrazole-4-carboxylic acid 5-amino-3-methyl-1H-pyrazole-4-c…
Find On: PubMed — Wikipedia — Google
CAS Number: 23286-64-8
1H-Pyrazole-4-carboxylic acid, 3-amino-5-methyl- (9CI)
3-amino-5-methyl-1H-pyrazole-4-carboxylic acid hydrochloride
| 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) | -0.35 | 1.2 | -38.18 | 4 | 5 | 0 | 96 | 141.13 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.35 | 1.15 | -45.94 | 3 | 5 | -1 | 95 | 140.122 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 205 - 207 | Enamine Building Blocks |
| MP | 205...207 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0315433A2; US4826866; US4871737 | IBM Patent Data |
