Basic information
- Standard SMILES
CCOC(=O)c1cnn2c(Cl)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12- InChIKey
HHGGADRVSIBEPV-UHFFFAOYSA-N- Molecular formula
- C21H21ClN4O3
- Average molar mass
- 412.9 g/mol
Names & identifiers
- Preferred name
- 7-Chloro-3-ethoxycarbonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine
- IUPAC
- ethyl 7-chloro-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Names & synonyms
SCHEMBL2801075HHGGADRVSIBEPV-UHFFFAOYSA-N7-Chloro-3-ethoxycarbonyl-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidine
Database identifiers
- PubChem CID
- 86646290
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 592
Related reactions
13 records
Compound notes
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