4-(Cyclopent-1-en-1-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
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Basic information
- Standard SMILES
C1=C(c2cnn(C3CCCCO3)c2)CCC1- InChIKey
XYNBGIPRVAIFMZ-UHFFFAOYSA-N- Molecular formula
- C13H18N2O
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.1419132
Names & identifiers
- Preferred name
- 4-(Cyclopent-1-en-1-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole
- IUPAC
- 4-(cyclopenten-1-yl)-1-(oxan-2-yl)pyrazole
Names & synonyms
4-(Cyclopent-1-en-1-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole1450598-35-2SCHEMBL15465302XYNBGIPRVAIFMZ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 89963017
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
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Related reactions
1 records
Compound notes
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