Basic information
- Standard SMILES
CC(=O)ON=Cc1cn(C(C)C)nc1-c1ccc([N+](=O)[O-])o1- InChIKey
HATBZPGADPNFAN-UHFFFAOYSA-N- Molecular formula
- C13H14N4O5
- Average molar mass
- 306.27 g/mol
Names & identifiers
- Preferred name
- 1-isopropyl-3-(5-nitro-2-furyl)pyrazole-4-carboxaldehyde-(O-acetyloxime)
- IUPAC
- [[3-(5-nitrofuran-2-yl)-1-propan-2-ylpyrazol-4-yl]methylideneamino] acetate
Names & synonyms
SCHEMBL11605170HATBZPGADPNFAN-UHFFFAOYSA-N1-isopropyl-3-(5-nitro-2-furyl)pyrazole-4-carboxaldehyde-(O-acetyloxime)
Database identifiers
- PubChem CID
- 53867451
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Related reactions
1 records
Compound notes
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