Basic information
- Standard SMILES
CCOC(=O)c1c(C)nn(-c2ccc([N+](=O)[O-])cn2)c1C- InChIKey
ISVSKRZYECTHHI-UHFFFAOYSA-N- Molecular formula
- C13H14N4O4
- Average molar mass
- 290.27 g/mol
Names & identifiers
- Preferred name
- ethyl 3,5-dimethyl-1-(5-nitro-2-pyridinyl)-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 3,5-dimethyl-1-(5-nitro-2-pyridinyl)pyrazole-4-carboxylate
Names & synonyms
346440-94-6ethyl 3,5-dimethyl-1-(5-nitro-2-pyridinyl)-1H-pyrazole-4-carboxylateethyl 3,5-dimethyl-1-(5-nitropyridin-2-yl)-1H-pyrazole-4-carboxylateethyl 3,5-dimethyl-1-(5-nitropyridin-2-yl)pyrazole-4-carboxylateSCHEMBL6070203ISVSKRZYECTHHI-UHFFFAOYSA-NMFCD02570783AKOS00508118312P-615ethyl 3,5-dimethyl-1-(5-nitro-2-pyridyl)pyrazole-4-carboxylateethyl3,5-dimethyl-1-(5-nitropyridin-2-yl)-1H-pyrazole-4-carboxylate3,5-dimethyl-1-(5-nitropyridin-2-yl)-1H-pyrazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 3545175
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Related reactions
2 records
Linked notes
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