Basic information
- Standard SMILES
COc1cc(CCc2cc(NC(=O)c3ccc(N4CCNC(C)(C)C4)cc3)[nH]n2)cc(OC)c1- InChIKey
OFPZHPFNAAUZHU-UHFFFAOYSA-N- Molecular formula
- C26H33N5O3
- Average molar mass
- 463.6 g/mol
- Monoisotopic mass
- 463.25833993
Names & identifiers
- Preferred name
- N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,3-dimethylpiperazin-1-yl)benzamide
- IUPAC
- N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,3-dimethylpiperazin-1-yl)benzamide
Names & synonyms
SCHEMBL64439OFPZHPFNAAUZHU-UHFFFAOYSA-NN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,3-dimethylpiperazin-1-yl)benzamide
Database identifiers
- PubChem CID
- 66589919
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 642
Related reactions
4 records
Compound notes
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