Basic information
- Standard SMILES
COc1ccc(N2CCN(CCNCc3cc(CC(C)C)nn3C(C)(C)C)CC2)cc1- InChIKey
ZCBQTYIRAPOUPA-UHFFFAOYSA-N- Molecular formula
- C25H41N5O
- Average molar mass
- 427.6 g/mol
- Monoisotopic mass
- 427.33111095
Names & identifiers
- Preferred name
- 2-t-Butyl-5-iso-butyl-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}aminomethylpyrazole
- IUPAC
- N-[[1-tert-butyl-3-(2-methylpropyl)pyrazol-5-yl]methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
Names & synonyms
SCHEMBL4247746ZCBQTYIRAPOUPA-UHFFFAOYSA-N2-t-butyl-5-iso-butyl-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}aminomethylpyrazole
Database identifiers
- PubChem CID
- 16038641
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 507
Related reactions
2 records
Compound notes
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