1-[4-(4-Nitro-pyrazol-1-ylmethyl)-pyridin-2-yl]-ethanone
Basic information
- Standard SMILES
CC(=O)c1cc(Cn2cc([N+](=O)[O-])cn2)ccn1- InChIKey
XSRARBDQYMDYOC-UHFFFAOYSA-N- Molecular formula
- C11H10N4O3
- Average molar mass
- 246.22 g/mol
- Monoisotopic mass
- 246.07529019
Names & identifiers
- Preferred name
- 1-[4-(4-Nitro-pyrazol-1-ylmethyl)-pyridin-2-yl]-ethanone
- IUPAC
- 1-[4-[(4-nitropyrazol-1-yl)methyl]-2-pyridinyl]ethanone
Names & synonyms
SCHEMBL1166656XSRARBDQYMDYOC-UHFFFAOYSA-N1-[4-(4-nitro-pyrazol-1-ylmethyl)-pyridin-2-yl]-ethanone
Database identifiers
- PubChem CID
- 66928652
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
2 records
Compound notes
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