Basic information
- Standard SMILES
CCCOCCn1nc(C(=O)OC)c([N+](=O)[O-])c1C(=O)OC- InChIKey
QWMROMLFGBEJOP-UHFFFAOYSA-N- Molecular formula
- C12H17N3O7
- Average molar mass
- 315.28 g/mol
- Monoisotopic mass
- 315.10664989
Names & identifiers
- Preferred name
- Dimethyl 4-nitro-1-(2-propoxyethyl)-1H-pyrazole-3,5-dicarboxylate
- IUPAC
- dimethyl 4-nitro-1-(2-propoxyethyl)pyrazole-3,5-dicarboxylate
Names & synonyms
SCHEMBL10252097QWMROMLFGBEJOP-UHFFFAOYSA-NDimethyl 4-nitro-1-(2-propoxyethyl)-1H-pyrazole-3,5-dicarboxylate
Database identifiers
- PubChem CID
- 57446147
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 412
Related reactions
5 records
Compound notes
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