Basic information
- Standard SMILES
CCCc1nn(C)c2c(Cl)nc(CCC(=O)OC)nc12- InChIKey
AHMNUIBVCLMADF-UHFFFAOYSA-N- Molecular formula
- C13H17ClN4O2
- Average molar mass
- 296.75 g/mol
- Monoisotopic mass
- 296.1040035
Names & identifiers
- Preferred name
- methyl 3-[7-chloro-1-methyl-3-propyl-1H-pyrazolo[4,3-d)pyrimidin-5-yl]propionate
- IUPAC
- methyl 3-(7-chloro-1-methyl-3-propylpyrazolo[4,5-d]pyrimidin-5-yl)propanoate
Names & synonyms
methyl 3-[7-chloro-1-methyl-3-propyl-1H-pyrazolo[4,3-d)pyrimidin-5-yl]propionatemethyl 3-[7-chloro-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]propionateSCHEMBL6709011AHMNUIBVCLMADF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 11150640
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Related reactions
2 records
Compound notes
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