Basic information
- Standard SMILES
CCOC(=O)c1c(C)nn(-c2ccccc2[N+](=O)[O-])c1C- InChIKey
VKZNGCFDQDMFLK-UHFFFAOYSA-N- Molecular formula
- C14H15N3O4
- Average molar mass
- 289.29 g/mol
Names & identifiers
- Preferred name
- 3,5-dimethyl-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 3,5-dimethyl-1-(2-nitrophenyl)pyrazole-4-carboxylate
Names & synonyms
SCHEMBL6070168VKZNGCFDQDMFLK-UHFFFAOYSA-N3,5-dimethyl-1-(2-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 9965764
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 398
Related reactions
5 records
Compound notes
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