2-[2-(Diethylamino)ethyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6(2H)-one
Basic information
- CAS
88550-10-1- Standard SMILES
CCN(CC)CCn1nc2oc(=O)cc(C)c2c1C- InChIKey
WHYZLCKFCSGDRF-UHFFFAOYSA-N- Molecular formula
- C14H21N3O2
- Average molar mass
- 263.34 g/mol
- Monoisotopic mass
- 263.16337692
Names & identifiers
- Preferred name
- 2-[2-(Diethylamino)ethyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6(2H)-one
- IUPAC
- 2-[2-(diethylamino)ethyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6-one
Names & synonyms
88550-10-1CHEMBL424138DTXSID206584862-[2-(Diethylamino)ethyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6(2H)-one
Database identifiers
- CAS
88550-10-1- PubChem CID
- 44367174
- DTXSID
DTXSID20658486- ChEMBL
CHEMBL424138
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
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Compound notes
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