4-(3,4-Dichloro-phenyl)-5-pyridin-4-yl-1-pyridin-3-ylmethyl-pyrazolidin-3-one
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Basic information
- Standard SMILES
O=C1NN(Cc2cccnc2)C(c2ccncc2)C1c1ccc(Cl)c(Cl)c1- InChIKey
GYDRVOYEAIFLRX-UHFFFAOYSA-N- Molecular formula
- C20H16Cl2N4O
- Average molar mass
- 399.3 g/mol
Names & identifiers
- Preferred name
- 4-(3,4-Dichloro-phenyl)-5-pyridin-4-yl-1-pyridin-3-ylmethyl-pyrazolidin-3-one
- IUPAC
- 4-(3,4-dichlorophenyl)-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrazolidin-3-one
Names & synonyms
SCHEMBL6160110GYDRVOYEAIFLRX-UHFFFAOYSA-N4-(3,4-Dichloro-phenyl)-5-pyridin-4-yl-1-pyridin-3-ylmethyl-pyrazolidin-3-one
Database identifiers
- PubChem CID
- 22277992
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 516
Related reactions
3 records
Compound notes
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