(R)-3-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)butan-2-yl)-1H-pyrazole-5-carboxamide
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Basic information
- Standard SMILES
CC[C@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc(C(C)=O)n[nH]1- InChIKey
QIEXMVLHBKOVAS-OAHLLOKOSA-N- Molecular formula
- C20H19ClN6O2
- Average molar mass
- 410.9 g/mol
- Monoisotopic mass
- 410.1258016
Names & identifiers
- Preferred name
- (R)-3-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)butan-2-yl)-1H-pyrazole-5-carboxamide
- IUPAC
- 3-acetyl-N-[(2R)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]butan-2-yl]-1H-pyrazole-5-carboxamide
Names & synonyms
SCHEMBL12081202QIEXMVLHBKOVAS-OAHLLOKOSA-N(R)-3-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)butan-2-yl)-1H-pyrazole-5-carboxamide
Database identifiers
- PubChem CID
- 70657239
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 652
Related reactions
3 records
Compound notes
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