(S)-4-(1-(2-aminopropyl)-1H-pyrazol-3-yl)-2-nitrobenzonitrile
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Basic information
- Standard SMILES
C[C@H](N)Cn1ccc(-c2ccc(C#N)c([N+](=O)[O-])c2)n1- InChIKey
PSTSGBSKLGERMY-VIFPVBQESA-N- Molecular formula
- C13H13N5O2
- Average molar mass
- 271.27 g/mol
Names & identifiers
- Preferred name
- (S)-4-(1-(2-aminopropyl)-1H-pyrazol-3-yl)-2-nitrobenzonitrile
- IUPAC
- 4-[1-[(2S)-2-aminopropyl]pyrazol-3-yl]-2-nitrobenzonitrile
Names & synonyms
SCHEMBL12080003PSTSGBSKLGERMY-VIFPVBQESA-N(S)-4-(1-(2-aminopropyl)-1H-pyrazol-3-yl)-2-nitrobenzonitrile
Database identifiers
- PubChem CID
- 70656286
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
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Related reactions
3 records
Compound notes
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