3-(adamantan-1-yloxymethyl)-4-bromo-1-cyclohexyl-5-methoxy-1H-pyrazole
Basic information
- Standard SMILES
COc1c(Br)c(COC23CC4CC(CC(C4)C2)C3)nn1C1CCCCC1- InChIKey
HYGIZCABSBAARY-UHFFFAOYSA-N- Molecular formula
- C21H31BrN2O2
- Average molar mass
- 423.4 g/mol
Names & identifiers
- Preferred name
- 3-(adamantan-1-yloxymethyl)-4-bromo-1-cyclohexyl-5-methoxy-1H-pyrazole
- IUPAC
- 3-(1-adamantyloxymethyl)-4-bromo-1-cyclohexyl-5-methoxypyrazole
Names & synonyms
SCHEMBL6489101HYGIZCABSBAARY-UHFFFAOYSA-N3-(adamantan-1-yloxymethyl)-4-bromo-1-cyclohexyl-5-methoxy-1H-pyrazole
Database identifiers
- PubChem CID
- 22291997
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 469
Related reactions
2 records
Compound notes
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