(4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone

C13H14F2N4O — CID 110111975

IUPAC(4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
SMILESCc1cc(C(=O)N2CCC(F)(F)CC2)n2nccc2n1
InChIInChI=1S/C13H14F2N4O/c1-9-8-10(19-11(17-9)2-5-16-19)12(20)18-6-3-13(14,15)4-7-18/h2,5,8H,3-4,6-7H2,1H3
InChIKeyXQHJPTZJWDSMFM-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.91
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone

(4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone (PubChem CID 110111975) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
PubChem CID110111975
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name(4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone
SMILESCc1cc(C(=O)N2CCC(F)(F)CC2)n2nccc2n1
InChIInChI=1S/C13H14F2N4O/c1-9-8-10(19-11(17-9)2-5-16-19)12(20)18-6-3-13(14,15)4-7-18/h2,5,8H,3-4,6-7H2,1H3
InChIKeyXQHJPTZJWDSMFM-UHFFFAOYSA-N
XLogP1.91
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone (CID 110111975) is (4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone is Cc1cc(C(=O)N2CCC(F)(F)CC2)n2nccc2n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?
The InChIKey is XQHJPTZJWDSMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-9-8-10(19-11(17-9)2-5-16-19)12(20)18-6-3-13(14,15)4-7-18/h2,5,8H,3-4,6-7H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone has a molecular weight of 280.28 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone is sourced from PubChem (CID 110111975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).