N1,N1-Diethyl-N2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2-ethanediamine
Basic information
- CAS
1031226-69-3- Standard SMILES
CCN(CC)CCNCc1cn[nH]c1-c1ccccc1- InChIKey
VPWQYXDHRXTSBF-UHFFFAOYSA-N- Molecular formula
- C16H24N4
- Average molar mass
- 272.39 g/mol
- Monoisotopic mass
- 272.20009678
Names & identifiers
- Preferred name
- N1,N1-Diethyl-N2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2-ethanediamine
- IUPAC
- N',N'-diethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
Names & synonyms
DTXSID001155894AKOS009003944N1,N1-Diethyl-N2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2-ethanediamine1031226-69-3N~1~,N~1~-Diethyl-N~2~-[(3-phenyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
Database identifiers
- CAS
1031226-69-3- PubChem CID
- 3901327
- DTXSID
DTXSID001155894
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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