Basic information
- Standard SMILES
CCOC(=O)C(=CNc1cc(C)nn1-c1ccccn1)C(=O)OCC- InChIKey
WFZSZRGNDBVSMN-UHFFFAOYSA-N- Molecular formula
- C17H20N4O4
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.14845513
Names & identifiers
- Preferred name
- Diethyl 2-([[3-methyl-1-(2-pyridinyl)-1H-pyrazol-5-yl]amino]methylene)malonate
- IUPAC
- diethyl 2-[[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)amino]methylidene]propanedioate
Names & synonyms
SCHEMBL6343050WFZSZRGNDBVSMN-UHFFFAOYSA-NDiethyl 2-([[3-methyl-1-(2-pyridinyl)-1H-pyrazol-5-yl]amino]methylene)malonate
Database identifiers
- PubChem CID
- 22320362
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 477
Related reactions
3 records
Compound notes
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