5-Amino-3-(4-ethoxyphenyl)-1H-pyrazole-1-ethanol
Basic information
- CAS
1152964-05-0- Standard SMILES
CCOc1ccc(-c2cc(N)n(CCO)n2)cc1- InChIKey
DMMRRNAXPWPIDL-UHFFFAOYSA-N- Molecular formula
- C13H17N3O2
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.13207679
Names & identifiers
- Preferred name
- 5-Amino-3-(4-ethoxyphenyl)-1H-pyrazole-1-ethanol
- IUPAC
- 2-[5-amino-3-(4-ethoxyphenyl)pyrazol-1-yl]ethanol
Names & synonyms
5-Amino-3-(4-ethoxyphenyl)-1H-pyrazole-1-ethanolDTXSID401237456AKOS0059241931152964-05-02-[5-Amino-3-(4-ethoxyphenyl)-1H-pyrazol-1-yl]ethan-1-ol
Database identifiers
- CAS
1152964-05-0- PubChem CID
- 43348945
- DTXSID
DTXSID401237456
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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