5-[(1-Ethyl-1H-pyrazol-3-YL)amino]-5-oxopentanoic acid
Basic information
- CAS
1006470-46-7- Standard SMILES
CCn1ccc(NC(=O)CCCC(=O)O)n1- InChIKey
QCINKLYAFIVGAZ-UHFFFAOYSA-N- Molecular formula
- C10H15N3O3
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.11134135
Names & identifiers
- Preferred name
- 5-[(1-Ethyl-1H-pyrazol-3-YL)amino]-5-oxopentanoic acid
- IUPAC
- 5-[(1-ethylpyrazol-3-yl)amino]-5-oxopentanoic acid
Names & synonyms
5-[(1-ETHYL-1H-PYRAZOL-3-YL)AMINO]-5-OXOPENTANOIC ACIDDTXSID701207802AKOS0003091801006470-46-7
Database identifiers
- CAS
1006470-46-7- PubChem CID
- 19620233
- DTXSID
DTXSID701207802
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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