Basic information
- Standard SMILES
CC(C)Cc1cc(CNCCN2CCN(c3cccc(Cl)c3)CC2)n(C(C)(C)C)n1- InChIKey
UNGXPFVVTRHXLG-UHFFFAOYSA-N- Molecular formula
- C24H38ClN5
- Average molar mass
- 432 g/mol
- Monoisotopic mass
- 431.2815739
Names & identifiers
- Preferred name
- 2-t-Butyl-5-iso-butyl-3-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}aminomethylpyrazole
- IUPAC
- N-[[1-tert-butyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanamine
Names & synonyms
SCHEMBL4249562UNGXPFVVTRHXLG-UHFFFAOYSA-N2-t-butyl-5-iso-butyl-3-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}aminomethylpyrazole
Database identifiers
- PubChem CID
- 16039079
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 500
Related reactions
2 records
Compound notes
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