5-Cyclopropyl-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide
Basic information
- CAS
957354-45-9- Standard SMILES
Cc1ccc(C)c(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1- InChIKey
NOQRPVPCNSDEOQ-UHFFFAOYSA-N- Molecular formula
- C17H18F3N3O
- Average molar mass
- 337.34 g/mol
- Monoisotopic mass
- 337.14019669
Names & identifiers
- Preferred name
- 5-Cyclopropyl-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide
- IUPAC
- 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
- English name
- 2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
- Molecular formula
- C17H18F3N3O
- Molecular weight
- 337.3395296
Names & synonyms
957354-45-9DTXSID8011346005-Cyclopropyl-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamideRefChem:1072828DTXCID8015662292-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamideSMR000160063MLS000324565CHEMBL1341161HMS2445A06STL390723AKOS003755126
Show more names
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamideVU0166586-3AK-968/419229011H-Pyrazole-1-acetamide, 5-cyclopropyl-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)-
Database identifiers
- CAS
957354-45-9- PubChem CID
- 843371
- DTXSID
DTXSID801134600- ChEMBL
CHEMBL1341161
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
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Compound notes
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