5-Amino-1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile
Basic information
- CAS
73594-96-4- Standard SMILES
N#Cc1cnn(-c2cc(Cl)ccc2Cl)c1N- InChIKey
YQSMXEYBNRLGRK-UHFFFAOYSA-N- Molecular formula
- C10H6Cl2N4
- Average molar mass
- 253.08 g/mol
- Monoisotopic mass
- 251.9969516
Names & identifiers
- Preferred name
- 5-Amino-1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile
- IUPAC
- 5-amino-1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile
- English name
- 5-amino-1-(2,5-dichlorophenyl)-1H-pyrazole-4-carbonitrile
- Molecular formula
- C10H6Cl2N4
- Molecular weight
- 253.09
Names & synonyms
73594-96-45-amino-1-(2,5-dichlorophenyl)-1h-pyrazole-4-carbonitrile5-amino-1-(2,5-dichlorophenyl)pyrazole-4-carbonitrile5-Amino-4-cyano-1-(2,5-dichlorophenyl)pyrazoleMLS003115690MFCD001283095-AMINO-1-(2,5-DICHLORO-PHENYL)-1H-PYRAZOLE-4-CARBONITRILENSC295357SCHEMBL1457404CHEMBL2130911DTXSID00315540NSC-295357
Show more names
1H-Pyrazole-4-carbonitrile, 5-amino-1-(2,5-dichlorophenyl)-
SMR001831261F521556
Database identifiers
- CAS
73594-96-4- PubChem CID
- 325822
- DTXSID
DTXSID00315540- ChEMBL
CHEMBL2130911
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
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Compound notes
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