| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2005 | 9 | Yes |
Popular Name: 5-amino-3-methyl-1H-pyrazole-4-carbonitrile 5-amino-3-methyl-1H-pyrazole-4-c…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 06/07/53 , 5453-07-6 , 5453-7-6 , [5453-07-6]
1H-pyrazole-4-carbonitrile, 5-amino-3-methyl-
3-Amino-4-cyano-5-methylpyrazole
3-Amino-5-methyl-1H-pyrazole-4-carbonitrile
5-Amino-4-cyano-3-methylpyrazole
| 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) | -0.17 | 0.83 | -7.61 | 3 | 4 | 0 | 78 | 122.131 | 0 | ↓ |
| Ref Reference (pH 7) | -0.17 | 0.86 | -7.45 | 3 | 4 | 0 | 78 | 122.131 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 160 - 162 | Enamine Building Blocks |
| MP | 160...162 | Enamine Building Blocks |
| melting_point | 161 - 163 | KeyOrganics |
| MP | 161-163° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Purity | 97+% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0025819A1; EP0264773A1; EP0443312A2; EP0443312B1; US4281000; US4847256; US5013737; US5059691; US5169850 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
