Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate
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Basic information
- CAS
1002535-10-5- Standard SMILES
CCOC(=O)c1nn(C)c(C(=O)OCC)c1[N+](=O)[O-]- InChIKey
DQKQBGQCFAUBHF-UHFFFAOYSA-N- Molecular formula
- C10H13N3O6
- Average molar mass
- 271.23 g/mol
- Monoisotopic mass
- 271.08043514
Names & identifiers
- Preferred name
- Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate
- IUPAC
- diethyl 1-methyl-4-nitropyrazole-3,5-dicarboxylate
- English name
- 1-METHYL-4-NITRO-1 H-PYRAZOLE-3,5-DICARBOXYLIC ACID DIETHYL ESTER
- Molecular formula
- C10H13N3O6
- Molecular weight
- 271.23
Names & synonyms
1002535-10-5Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylateDTXSID901194542AKOS015996420Diethyl1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate3,5-Diethyl 1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxylate1-methyl-4-nitro-1 h-pyrazole-3,5-dicarboxylic acid diethyl ester1-Methyl-4-nitro-1H-pyrazole-3,5-dicarboxylic acid diethyl esterdiethyl 1-methyl-4-nitropyrazole-3,5-dicarboxylate1H-Pyrazole-3,5-dicarboxylic acid, 1-methyl-4-nitro-, 3,5-diethyl ester
Database identifiers
- CAS
1002535-10-5- PubChem CID
- 7174142
- DTXSID
DTXSID901194542
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 386.3 · 386.3±37.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- -6.05 · -6.05±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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