Basic information
- Standard SMILES
COc1ccc(N2CCN(CCNCc3cc(CC(C)C)n(-c4ccccc4)n3)CC2)cc1- InChIKey
VDNQIYNLAXQGHM-UHFFFAOYSA-N- Molecular formula
- C27H37N5O
- Average molar mass
- 447.6 g/mol
- Monoisotopic mass
- 447.29981082
Names & identifiers
- Preferred name
- 5-Iso-butyl-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}aminomethyl-1-phenyl pyrazole
- IUPAC
- 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]ethanamine
Names & synonyms
SCHEMBL4245856VDNQIYNLAXQGHM-UHFFFAOYSA-N5-iso-butyl-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}aminomethyl-1-phenyl pyrazole
Database identifiers
- PubChem CID
- 16038642
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 539
Related reactions
2 records
Compound notes
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