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Basic information
- Standard SMILES
COc1cc(-c2ccn(C[C@H](C)NC(=O)c3cc(C(C)=O)[nH]n3)n2)ccc1C#N- InChIKey
VZKPOFXVKTVPMJ-LBPRGKRZSA-N- Molecular formula
- C20H20N6O3
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.15968852
Names & identifiers
- Preferred name
- (S)-5-acetyl-N-(1-(3-(4-cyano-3-methoxyphenyl)-1H-pyrazol-1-yl)propan-2-yl)-1H-pyrazole-3-carboxamide
- IUPAC
- 3-acetyl-N-[(2S)-1-[3-(4-cyano-3-methoxyphenyl)pyrazol-1-yl]propan-2-yl]-1H-pyrazole-5-carboxamide
Names & synonyms
SCHEMBL12079601VZKPOFXVKTVPMJ-LBPRGKRZSA-N(S)-5-acetyl-N-(1-(3-(4-cyano-3-methoxyphenyl)-1H-pyrazol-1-yl)propan-2-yl)-1H-pyrazole-3-carboxamide
Database identifiers
- PubChem CID
- 70656011
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 649
Related reactions
1 records
Compound notes
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