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

C13H15F3N4O — CID 82271343

IUPAC4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1c(C2CCNCC2)cc(=O)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C13H15F3N4O/c1-19-9(8-2-4-17-5-3-8)6-12(21)20-11(19)7-10(18-20)13(14,15)16/h6-8,17H,2-5H2,1H3
InChIKeyALMAPEAODBSPED-UHFFFAOYSA-N
MW300.28 g/mol
LogP1.52
Rot. Bonds1

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

4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271343) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271343
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1c(C2CCNCC2)cc(=O)n2nc(C(F)(F)F)cc12
InChIInChI=1S/C13H15F3N4O/c1-19-9(8-2-4-17-5-3-8)6-12(21)20-11(19)7-10(18-20)13(14,15)16/h6-8,17H,2-5H2,1H3
InChIKeyALMAPEAODBSPED-UHFFFAOYSA-N
XLogP1.52
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one (CID 82271343) is 4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one is Cn1c(C2CCNCC2)cc(=O)n2nc(C(F)(F)F)cc12.
What is the InChIKey of 4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ALMAPEAODBSPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-19-9(8-2-4-17-5-3-8)6-12(21)20-11(19)7-10(18-20)13(14,15)16/h6-8,17H,2-5H2,1H3.
What are the key properties of 4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one?
4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 300.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-piperidin-4-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).