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Basic information
- Standard SMILES
CCc1nn(CC)c(C)c1I- InChIKey
CUYJGHNMDNTFLR-UHFFFAOYSA-N- Molecular formula
- C8H13IN2
- Average molar mass
- 264.11 g/mol
- Monoisotopic mass
- 264.01235
Names & identifiers
- Preferred name
- 1,3-Diethyl-4-iodo-5-methylpyrazole
- IUPAC
- 1,3-diethyl-4-iodo-5-methylpyrazole
Names & synonyms
SCHEMBL6104900CUYJGHNMDNTFLR-UHFFFAOYSA-N1,3-diethyl-4-iodo-5-methylpyrazole
Database identifiers
- PubChem CID
- 21912748
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Related reactions
3 records
Compound notes
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