1-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
Basic information
- CAS
1779901-55-1- Standard SMILES
N#CC1(c2cnc3cc(C(F)(F)F)nn3c2)CC1- InChIKey
NVMUBYQDTGAAKY-UHFFFAOYSA-N- Molecular formula
- C11H7F3N4
- Average molar mass
- 252.2 g/mol
- Monoisotopic mass
- 252.06228073
Names & identifiers
- Preferred name
- 1-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
- IUPAC
- 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
Names & synonyms
DTXSID6011361051-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrileCyclopropanecarbonitrile, 1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]-1779901-55-1
Database identifiers
- CAS
1779901-55-1- PubChem CID
- 84804239
- DTXSID
DTXSID601136105
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 395
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Compound notes
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