4-chloro-N-(2,5-dimethoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
Basic information
- CAS
490032-28-5- Standard SMILES
COc1ccc(OC)c(NC(=O)c2c(Cl)c(C)nn2C)c1- InChIKey
HHCZETMKZGMEQI-UHFFFAOYSA-N- Molecular formula
- C14H16ClN3O3
- Average molar mass
- 309.75 g/mol
Names & identifiers
- Preferred name
- 4-chloro-N-(2,5-dimethoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
- IUPAC
- 4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
- English name
- 4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
- Molecular formula
- C14H16ClN3O3
- Molecular weight
- 309.75
Names & synonyms
4-chloro-N-(2,5-dimethoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethyl-1H-pyrazole-5-carboxamideSTK959936AKOS003750869490032-28-51H-Pyrazole-5-carboxamide, 4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethyl-
Database identifiers
- CAS
490032-28-5
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 410.7 · 410.7±45.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 11.2 · 11.20±0.70(Predicted)
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Compound notes
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