Basic information
- Standard SMILES
CC1(c2cccc(Cn3cc([N+](=O)[O-])cn3)c2)OCCO1- InChIKey
FRJUUUAQSLGKMB-UHFFFAOYSA-N- Molecular formula
- C14H15N3O4
- Average molar mass
- 289.29 g/mol
Names & identifiers
- Preferred name
- 1-[3-(2-Methyl-[1,3]dioxolan-2-yl)-benzyl]-4-nitro-1H-pyrazole
- IUPAC
- 1-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methyl]-4-nitropyrazole
Names & synonyms
SCHEMBL1166768FRJUUUAQSLGKMB-UHFFFAOYSA-N1-[3-(2-Methyl-[1,3]dioxolan-2-yl)-benzyl]-4-nitro-1H-pyrazole
Database identifiers
- PubChem CID
- 66928740
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
Related reactions
4 records
Compound notes
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