5-Amino-1-(7-chloro-4-quinolinyl)-1h-pyrazole-4-carbonitrile
Basic information
- CAS
106898-38-8- Standard SMILES
N#Cc1cnn(-c2ccnc3cc(Cl)ccc23)c1N- InChIKey
VUZSDANLIXIZFV-UHFFFAOYSA-N- Molecular formula
- C13H8ClN5
- Average molar mass
- 269.69 g/mol
- Monoisotopic mass
- 269.046823
Names & identifiers
- Preferred name
- 5-Amino-1-(7-chloro-4-quinolinyl)-1h-pyrazole-4-carbonitrile
- IUPAC
- 5-amino-1-(7-chloroquinolin-4-yl)pyrazole-4-carbonitrile
Names & synonyms
106898-38-85-amino-1-(7-chloro-4-quinolinyl)-1h-pyrazole-4-carbonitrileOprea1_506669SCHEMBL7744884DTXSID201185398CCG-46084NSC727568NSC-727568DA-20106SR-01000635806-17-Chloro-4-( 5-amino -4-cyano-pyrazole-1yl) Quinoline5-Amino-1-(7-chloroquinolin-4-yl)-1H-pyrazole-4-carbonitrile
Database identifiers
- CAS
106898-38-8- PubChem CID
- 2797752
- DTXSID
DTXSID201185398
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 380
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Compound notes
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