Basic information
- Standard SMILES
Cc1c(Cl)cccc1-n1ncc(C#N)c1N- InChIKey
XDCSBHZKARZXQA-UHFFFAOYSA-N- Molecular formula
- C11H9ClN4
- Average molar mass
- 232.67 g/mol
Names & identifiers
- Preferred name
- 5-amino-1-(3-chloro-2-methylphenyl)-1H-pyrazole-4-carbonitrile
- IUPAC
- 5-amino-1-(3-chloro-2-methylphenyl)pyrazole-4-carbonitrile
Names & synonyms
5-amino-1-(3-chloro-2-methylphenyl)-1H-pyrazole-4-carbonitrile1207832-99-2MFCD119182715-amino-1-(3-chloro-2-methylphenyl)pyrazole-4-carbonitrile5-Amino-1-(3-chloro-2-methyl-phenyl)-1H-pyrazole-4-carbonitrileSCHEMBL838616XDCSBHZKARZXQA-UHFFFAOYSA-NF5113055-amino-1-(3-chloro-2-methyl-phenyl)pyrazole-4-carbonitrile
Database identifiers
- PubChem CID
- 57504654
Properties
Computed structural properties
- XLogP
- 2.8
- 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
- 300
Related reactions
1 records
Compound notes
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