Basic information
- Standard SMILES
COc1ccc(Oc2c(C)n[nH]c2C)c2c1CCC2- InChIKey
CYLWLYGHLAOLHJ-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.13682782
Names & identifiers
- Preferred name
- 4-(7-Methoxy-indan-4-yloxy)-3,5-dimethyl-1H-pyrazole
- IUPAC
- 4-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-3,5-dimethyl-1H-pyrazole
Names & synonyms
SCHEMBL834678CYLWLYGHLAOLHJ-UHFFFAOYSA-N4-(7-Methoxy-indan-4-yloxy)-3,5-dimethyl-1H-pyrazole
Database identifiers
- PubChem CID
- 66812466
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
2 records
Compound notes
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