N-cyano-N'-[3-(1H-pyrazol-5-yl)phenyl]methanimidamide
Basic information
- CAS
89250-44-2- Standard SMILES
N#CNC=Nc1cccc(-c2ccn[nH]2)c1- InChIKey
CHLXFSVSLFAWNK-UHFFFAOYSA-N- Molecular formula
- C11H9N5
- Average molar mass
- 211.22 g/mol
- Monoisotopic mass
- 211.08579531
Names & identifiers
- Preferred name
- N-cyano-N'-[3-(1H-pyrazol-5-yl)phenyl]methanimidamide
- IUPAC
- N-cyano-N'-[3-(1H-pyrazol-5-yl)phenyl]methanimidamide
Names & synonyms
89250-44-2N-cyano-N'-[3-(1H-pyrazol-5-yl)phenyl]methanimidamideSCHEMBL10727997SCHEMBL10728001DTXSID70603204
Database identifiers
- CAS
89250-44-2- PubChem CID
- 20165096
- DTXSID
DTXSID70603204
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
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Compound notes
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