3-((4-Iodo-1H-pyrazol-1-yl)methyl)-5-methylisoxazole
Basic information
- Standard SMILES
Cc1cc(Cn2cc(I)cn2)no1- InChIKey
ZVEXVRKQAJVSOI-UHFFFAOYSA-N- Molecular formula
- C8H8IN3O
- Average molar mass
- 289.07 g/mol
- Monoisotopic mass
- 288.97121
Names & identifiers
- Preferred name
- 3-((4-Iodo-1H-pyrazol-1-yl)methyl)-5-methylisoxazole
- IUPAC
- 3-[(4-iodopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
Names & synonyms
3-((4-Iodo-1H-pyrazol-1-yl)methyl)-5-methylisoxazole1340552-05-7SCHEMBL12493205ZVEXVRKQAJVSOI-UHFFFAOYSA-NAKOS013753032DA-25511
Database identifiers
- PubChem CID
- 64429765
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Related reactions
2 records
Compound notes
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