1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl-
Basic information
- CAS
94427-97-1- Standard SMILES
N#Cc1nn(-c2ccccc2)c(N)c1C#N- InChIKey
MGULYLNXXBGXJR-UHFFFAOYSA-N- Molecular formula
- C11H7N5
- Average molar mass
- 209.21 g/mol
- Monoisotopic mass
- 209.07014524
Names & identifiers
- Preferred name
- 1H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl-
- IUPAC
- 5-amino-1-phenylpyrazole-3,4-dicarbonitrile
Names & synonyms
94427-97-11H-Pyrazole-3,4-dicarbonitrile, 5-amino-1-phenyl-DTXSID80354255RefChem:239879DTXCID103053165-Amino-1-phenyl-1H-pyrazole-3,4-dicarbonitrile5-amino-1-phenylpyrazole-3,4-dicarbonitrileSTK862914AKOS000100853ST50304266SR-01000397898SR-01000397898-1
Database identifiers
- CAS
94427-97-1- PubChem CID
- 767375
- DTXSID
DTXSID80354255
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 342
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Compound notes
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