Basic information
- CAS
957299-18-2- Standard SMILES
O=C(Cn1nc(C(F)F)cc1C1CC1)N1CCCC1- InChIKey
BEVWYJVVOSXUHT-UHFFFAOYSA-N- Molecular formula
- C13H17F2N3O
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.1339685
Names & identifiers
- Preferred name
- 2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone
- IUPAC
- 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
Names & synonyms
957299-18-22-[5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-1-(1-pyrrolidinyl)ethanone2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanoneRefChem:2529192-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone5-cyclopropyl-3-(difluoromethyl)-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-pyrazole2-(5-Cyclopropyl-3-difluoromethyl-pyrazol-1-yl)-1-pyrrolidin-1-yl-ethanoneMLS001216936CHEMBL1890766DTXSID701135574HMS1695E10HMS2893J16
Show more names
MFCD04209559AKOS001681860CCG-116597SMR000612716EU-00837292-[5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-1-(pyrrolidin-1-yl)ethan-1-one
Database identifiers
- CAS
957299-18-2- PubChem CID
- 892173
- DTXSID
DTXSID701135574- ChEMBL
CHEMBL1890766
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Experimental & physicochemical properties
Solubility>40.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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