7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

C12H13F3N4O — CID 137018454

IUPAC7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2nc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C12H13F3N4O/c13-12(14,15)9-6-10-17-11(20)5-8(19(10)18-9)7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H,17,20)
InChIKeyJJNLBYPGCDWOIJ-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.51
Rot. Bonds1

About 7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018454) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018454
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESO=c1cc(C2CCNCC2)n2nc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C12H13F3N4O/c13-12(14,15)9-6-10-17-11(20)5-8(19(10)18-9)7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H,17,20)
InChIKeyJJNLBYPGCDWOIJ-UHFFFAOYSA-N
XLogP1.51
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10118930, Example 429
CID 137018588
2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162645681
2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162676141
US10118930, Example 317
CID 137018316
US10118930, Example 432
CID 137018384
US10118930, Example 319
CID 137018405
US10118930, Example 8
CID 137018480
US10118930, Example 424
CID 137018621
US10118930, Example 26
CID 137018653
US10118930, Example 368
CID 137018693
US10118930, Example 407
CID 137018748
US10118930, Example 418
CID 137018759

Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018454) is 7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is O=c1cc(C2CCNCC2)n2nc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JJNLBYPGCDWOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c13-12(14,15)9-6-10-17-11(20)5-8(19(10)18-9)7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H,17,20).
What are the key properties of 7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 286.26 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).