Basic information
- CAS
1053071-18-3- Standard SMILES
CCCCN(CC)C(CN)c1cnn(-c2ccccc2)c1- InChIKey
UDKYQEPXGZKLSJ-UHFFFAOYSA-N- Molecular formula
- C17H26N4
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.21574685
Names & identifiers
- Preferred name
- N1-Butyl-N1-ethyl-1-(1-phenyl-1H-pyrazol-4-yl)-1,2-ethanediamine
- IUPAC
- N-butyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethane-1,2-diamine
Names & synonyms
DTXSID101172221N1-Butyl-N1-ethyl-1-(1-phenyl-1H-pyrazol-4-yl)-1,2-ethanediamineAKOS0001635651053071-18-3N~1~-Butyl-N~1~-ethyl-1-(1-phenyl-1H-pyrazol-4-yl)ethane-1,2-diamine
Database identifiers
- CAS
1053071-18-3- PubChem CID
- 20121067
- DTXSID
DTXSID101172221
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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