4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide

C11H11F3N4O — CID 86286976

IUPAC4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide
SMILESO=C(CCC(F)(F)F)NCc1cnn2cccnc12
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)3-2-9(19)16-6-8-7-17-18-5-1-4-15-10(8)18/h1,4-5,7H,2-3,6H2,(H,16,19)
InChIKeyGTYLGTBNQKXORO-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.69
Rot. Bonds4

About 4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide

4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide (PubChem CID 86286976) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide
PubChem CID86286976
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide
SMILESO=C(CCC(F)(F)F)NCc1cnn2cccnc12
InChIInChI=1S/C11H11F3N4O/c12-11(13,14)3-2-9(19)16-6-8-7-17-18-5-1-4-15-10(8)18/h1,4-5,7H,2-3,6H2,(H,16,19)
InChIKeyGTYLGTBNQKXORO-UHFFFAOYSA-N
XLogP1.69
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide (CID 86286976) is 4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide is O=C(CCC(F)(F)F)NCc1cnn2cccnc12.
What is the InChIKey of 4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide?
The InChIKey is GTYLGTBNQKXORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c12-11(13,14)3-2-9(19)16-6-8-7-17-18-5-1-4-15-10(8)18/h1,4-5,7H,2-3,6H2,(H,16,19).
What are the key properties of 4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide?
4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide has a molecular weight of 272.23 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide is sourced from PubChem (CID 86286976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).