Basic information
- CAS
777063-42-0- Standard SMILES
Cc1ccc(-c2cnn(CCC(C)C)c2)cc1- InChIKey
XKLPCZOGHLMPMJ-UHFFFAOYSA-N- Molecular formula
- C15H20N2
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.16264865
Names & identifiers
- Preferred name
- 1-(3-Methylbutyl)-4-(4-methylphenyl)-1H-pyrazole
- IUPAC
- 1-(3-methylbutyl)-4-(4-methylphenyl)pyrazole
Names & synonyms
1-(3-Methylbutyl)-4-(4-methylphenyl)-1H-pyrazoleSCHEMBL2082437XKLPCZOGHLMPMJ-UHFFFAOYSA-NDTXSID201238258AKOS017498865777063-42-0
Database identifiers
- CAS
777063-42-0- PubChem CID
- 9859405
- DTXSID
DTXSID201238258
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 219
Related reactions
2 records
Compound notes
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