Basic information
- Standard SMILES
OCCNC1CCC(n2cc(I)cn2)CC1- InChIKey
RMZYOYMXFKEZBJ-UHFFFAOYSA-N- Molecular formula
- C11H18IN3O
- Average molar mass
- 335.18 g/mol
- Monoisotopic mass
- 335.04946
Names & identifiers
- Preferred name
- 2-[4-(4-Iodo-pyrazol-1-yl)-cyclohexylamino]-ethanol
- IUPAC
- 2-[[4-(4-iodopyrazol-1-yl)cyclohexyl]amino]ethanol
Names & synonyms
SCHEMBL15416604RMZYOYMXFKEZBJ-UHFFFAOYSA-N2-[4-(4-Iodo-pyrazol-1-yl)-cyclohexylamino]-ethanol
Database identifiers
- PubChem CID
- 89924440
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 209
Related reactions
3 records
Compound notes
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