| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2008 | 9 | No |
Popular Name: 3-methyl-4-nitro-1h-pyrazole 3-methyl-4-nitro-1h-pyrazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 5334-39-4 , [5334-39-4]
1H-pyrazole, 3-methyl-4-nitro-
1H-Pyrazole, 3-methyl-4-nitro- (9CI)
1H-Pyrazole, 3-methyl-4-nitro-; 3-Methyl-4-nitro-1H-pyrazole; LS-128536
| 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) | 0.43 | 2.2 | -7.98 | 1 | 5 | 0 | 75 | 127.103 | 1 | ↓ |
| Ref Reference (pH 7) | 0.43 | 2.18 | -7.34 | 1 | 5 | 0 | 75 | 127.103 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 2.04 | -29.61 | 0 | 5 | -1 | 73 | 126.095 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.43 | 2.05 | -29.64 | 0 | 5 | -1 | 73 | 126.095 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 119 - 121 | Enamine Building Blocks |
| MP | 119...121 | Enamine Building Blocks |
| Melting_Point | 131-134? | Alfa-Aesar |
| Melting_Point | 131-134° | Alfa-Aesar |
| Boiling_Point | 325? | Alfa-Aesar |
| Boiling_Point | 325° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
