5-chloro-N-(3-chlorophenyl)-1-methyl-1H-pyrazole-3-carboxamide
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Basic information
- CAS
489451-56-1- Standard SMILES
Cn1nc(C(=O)Nc2cccc(Cl)c2)cc1Cl- InChIKey
ZAROTHWPXXZLQT-UHFFFAOYSA-N- Molecular formula
- C11H9Cl2N3O
- Average molar mass
- 270.11 g/mol
Names & identifiers
- Preferred name
- 5-chloro-N-(3-chlorophenyl)-1-methyl-1H-pyrazole-3-carboxamide
- IUPAC
- 5-chloro-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide
- English name
- 5-chloro-N-(3-chlorophenyl)-1-methyl-1H-pyrazole-3-carboxamide
- Molecular formula
- C11H9Cl2N3O
- Molecular weight
- 270.11
Names & synonyms
5-chloro-N-(3-chlorophenyl)-1-methyl-1H-pyrazole-3-carboxamideOprea1_4631995-chloro-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamideSTK915144AKOS000672418AK-968/15360674SR-01000366329SR-01000366329-11H-Pyrazole-3-carboxamide, 5-chloro-N-(3-chlorophenyl)-1-methyl-
Database identifiers
- CAS
489451-56-1
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 336.3 · 336.3±37.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 10.81 · 10.81±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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