Basic information
- Standard SMILES
CCn1cnc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)c1- InChIKey
YOYVWNWNHHQXMO-ZDUSSCGKSA-N- Molecular formula
- C19H19ClN6O
- Average molar mass
- 382.8 g/mol
Names & identifiers
- Preferred name
- (S)-N-{1-[3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-yl]propan-2-yl}-1-ethyl-1H-imidazole-4-carboxamide
- IUPAC
- N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1-ethylimidazole-4-carboxamide
Names & synonyms
SCHEMBL12079949YOYVWNWNHHQXMO-ZDUSSCGKSA-N(S)-N-{1-[3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1 -yl]propan-2-yl}-1-ethyl-1H-imidazole-4-carboxamide(S)-N-{1-[3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-yl]propan-2-yl}-1-ethyl-1H-imidazole-4-carboxamide
Database identifiers
- PubChem CID
- 70656247
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 566
Related reactions
1 records
Compound notes
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