Basic information
- Standard SMILES
Cc1cc(Cl)ccc1COc1ccnn1-c1cc(C#N)ccn1- InChIKey
MKZKUDSUBLAWNR-UHFFFAOYSA-N- Molecular formula
- C17H13ClN4O
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.0777887
Names & identifiers
- Preferred name
- 2-[5-[(4-Chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
- IUPAC
- 2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
Names & synonyms
SCHEMBL15777483MKZKUDSUBLAWNR-UHFFFAOYSA-N2-[5-[(4-chloro-2-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carbonitrile
Database identifiers
- PubChem CID
- 86725554
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Related reactions
2 records
Compound notes
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