Basic information
- Standard SMILES
COc1ccc(N2CCN(CCNCc3cc(-c4ccc(Cl)cc4)n(C(C)(C)C)n3)CC2)cc1- InChIKey
GVSLWNMKMAHXPI-UHFFFAOYSA-N- Molecular formula
- C27H36ClN5O
- Average molar mass
- 482.1 g/mol
- Monoisotopic mass
- 481.2608385
Names & identifiers
- Preferred name
- 1-t-Butyl-5-(4-chlorophenyl)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}aminomethylpyrazole
- IUPAC
- N-[[1-tert-butyl-5-(4-chlorophenyl)pyrazol-3-yl]methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
Names & synonyms
SCHEMBL4250285GVSLWNMKMAHXPI-UHFFFAOYSA-N1-t-butyl-5-(4-chlorophenyl)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}aminomethylpyrazole
Database identifiers
- PubChem CID
- 16038706
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 592
Related reactions
2 records
Compound notes
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