ethyl 6-acetyl-3-cyano-7-[(N-methylanilino)methyl]-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylate
Basic information
- CAS
79115-58-5- Standard SMILES
CCOC(=O)C1(CN(C)c2ccccc2)C(C(C)=O)=CNc2c(C#N)cnn21- InChIKey
SSHXDBDLOUCAHK-UHFFFAOYSA-N- Molecular formula
- C20H21N5O3
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.16443955
Names & identifiers
- Preferred name
- ethyl 6-acetyl-3-cyano-7-[(N-methylanilino)methyl]-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylate
- IUPAC
- ethyl 6-acetyl-3-cyano-7-[(N-methylanilino)methyl]-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylate
Names & synonyms
NSC35197879115-58-5DTXSID70419564NSC-351978Ethyl 6-acetyl-3-cyano-7-{[methyl(phenyl)amino]methyl}-1,7-dihydropyrazolo[1,5-a]pyrimidine-7-carboxylate
Database identifiers
- CAS
79115-58-5- PubChem CID
- 336773
- DTXSID
DTXSID70419564
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 693
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Compound notes
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