5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H17F3N4O — CID 110118446

IUPAC5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C2CCCCN2CCC(F)(F)F)nc2cc[nH]n12
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)5-8-20-7-2-1-3-11(20)10-9-13(22)21-12(19-10)4-6-18-21/h4,6,9,11,18H,1-3,5,7-8H2
InChIKeyFLSVYWLXEZOWOF-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.50
Rot. Bonds3

About 5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110118446) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is 5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110118446
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C2CCCCN2CCC(F)(F)F)nc2cc[nH]n12
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)5-8-20-7-2-1-3-11(20)10-9-13(22)21-12(19-10)4-6-18-21/h4,6,9,11,18H,1-3,5,7-8H2
InChIKeyFLSVYWLXEZOWOF-UHFFFAOYSA-N
XLogP2.50
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110118446) is 5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(C2CCCCN2CCC(F)(F)F)nc2cc[nH]n12.
What is the InChIKey of 5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FLSVYWLXEZOWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O/c15-14(16,17)5-8-20-7-2-1-3-11(20)10-9-13(22)21-12(19-10)4-6-18-21/h4,6,9,11,18H,1-3,5,7-8H2.
What are the key properties of 5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 314.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,3,3-trifluoropropyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110118446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).