Basic information
- Standard SMILES
C1=C(c2cnn(C3CCCCO3)c2)CCCC1- InChIKey
RYEKPBBRJFEBGN-UHFFFAOYSA-N- Molecular formula
- C14H20N2O
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.15756327
Names & identifiers
- Preferred name
- 4-Cyclohex-1-en-1-yl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
- IUPAC
- 4-(cyclohexen-1-yl)-1-(oxan-2-yl)pyrazole
Names & synonyms
SCHEMBL15464821RYEKPBBRJFEBGN-UHFFFAOYSA-NZ40006350984-(Cyclohex-1-en-1-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole4-Cyclohex-1-en-1-yl-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
Database identifiers
- PubChem CID
- 89962589
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Related reactions
2 records
Compound notes
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