Basic information
- CAS
477711-49-2- Standard SMILES
Cc1nn(C)c(Oc2ccccc2)c1CCNC(=O)c1cccc(Cl)c1- InChIKey
SKVUNNILGRMIAP-UHFFFAOYSA-N- Molecular formula
- C20H20ClN3O2
- Average molar mass
- 369.8 g/mol
- Monoisotopic mass
- 369.1244046
Names & identifiers
- Preferred name
- 3-chloro-N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzamide
- IUPAC
- 3-chloro-N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzamide
- English name
- 3-CHLORO-N-[2-(1,3-DIMETHYL-5-PHENOXY-1H-PYRAZOL-4-YL)ETHYL]BENZENECARBOXAMIDE
- Molecular formula
- C20H20ClN3O2
- Molecular weight
- 369.84
Names & synonyms
477711-49-23-chloro-N-[2-(1,3-dimethyl-5-phenoxypyrazol-4-yl)ethyl]benzamide3-chloro-N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]benzenecarboxamide3-chloro-N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]benzamideBionet1_0033483-Chloro-N-(2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl)benzamideOprea1_605064HMS578D10AKOS0050889553P-568SBenzamide, 3-chloro-N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]-
Database identifiers
- CAS
477711-49-2- PubChem CID
- 3806887
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Boiling point
- 547.4 · 547.4±50.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 13.83 · 13.83±0.46(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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