Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate
methyl 3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoate
Also Known As: methyl 3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoate|Oprea1_788059|methyl 3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoate|methyl 3-(3,5-dimethyl-4-nitropyrazolyl)propanoate|Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate|AK-968/41170136|(E)-3-(1,5-Dimethyl-1H-pyrazol-4-yl)-acrylic acid|methyl 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoate|1H-pyrazole-1-propanoic acid, 3,5-dimethyl-4-nitro-, methyl ester|3-(3,5-Dimethyl-4-nitro-pyrazol-1-yl)-propionic acid methyl ester|methyl3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoate|methyl 3-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}propanoate|3-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-PROPIONICACID METHYL ESTER
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.0906 g/mol |
| LogP | 0.97124 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.0906 |
| Monoisotopic Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 424.63373 |
Chemical Identifiers
| CAS Number | 512809-76-6 |
|---|---|
| SMILES | CC1=C(C(=NN1CCC(=O)OC)C)[N+](=O)[O-] |
Product Overview
Methyl 3,5-dimethyl-4-nitro-1H-pyrazole-1-propanoate (CAS 512809-76-6), with molecular formula C9H13N3O4 and molecular weight 227.0906 g/mol. IUPAC: methyl 3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoate.