Basic information
- Standard SMILES
CCCCOCc1ccc(Cn2cc(-c3cccnc3N)cn2)cc1- InChIKey
BTEGFXYYTDUUAT-UHFFFAOYSA-N- Molecular formula
- C20H24N4O
- Average molar mass
- 336.4 g/mol
Names & identifiers
- Preferred name
- 3-(1-(4-Butoxymethyl-benzyl)-1H-pyrazol-4-yl)-pyridin-2-ylamine
- IUPAC
- 3-[1-[[4-(butoxymethyl)phenyl]methyl]pyrazol-4-yl]pyridin-2-amine
Names & synonyms
SCHEMBL510302BTEGFXYYTDUUAT-UHFFFAOYSA-N3-(1-(4-Butoxymethyl-benzyl)-1H-pyrazol-4-yl)-pyridin-2-ylamine3-(1-(4-Butoxymethyl-benzyl)-1H-pyrazol4-yl)-pyridin-2-ylamine
Database identifiers
- PubChem CID
- 16719085
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 373
Related reactions
6 records
Compound notes
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