Basic information
- Standard SMILES
O=CNC1=CCN(c2ccc(Cl)c(Cl)c2)N1- InChIKey
WLSSVKVUIKDQMJ-UHFFFAOYSA-N- Molecular formula
- C10H9Cl2N3O
- Average molar mass
- 258.1 g/mol
- Monoisotopic mass
- 257.0122673
Names & identifiers
- Preferred name
- N-[1-(3,4-dichlorophenyl)-3-pyrazolin-3-yl]formamide
- IUPAC
- N-[2-(3,4-dichlorophenyl)-1,3-dihydropyrazol-5-yl]formamide
Names & synonyms
SCHEMBL11060461WLSSVKVUIKDQMJ-UHFFFAOYSA-NN-[1-(3,4-dichlorophenyl)-3-pyrazolin-3-yl]formamide
Database identifiers
- PubChem CID
- 20459963
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
Related reactions
1 records
Compound notes
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