3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H19F3N4O — CID 51356806

IUPAC3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCCCC2)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)17-16(13-7-3-1-4-8-13)18-23-14(11-15(27)26(18)24-17)12-25-9-5-2-6-10-25/h1,3-4,7-8,11,24H,2,5-6,9-10,12H2
InChIKeyUDIMNJPEOGWWIY-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.69
Rot. Bonds3

About 3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 51356806) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is 3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID51356806
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCCCC2)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)17-16(13-7-3-1-4-8-13)18-23-14(11-15(27)26(18)24-17)12-25-9-5-2-6-10-25/h1,3-4,7-8,11,24H,2,5-6,9-10,12H2
InChIKeyUDIMNJPEOGWWIY-UHFFFAOYSA-N
XLogP3.69
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 51356806) is 3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(CN2CCCCC2)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12.
What is the InChIKey of 3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UDIMNJPEOGWWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c20-19(21,22)17-16(13-7-3-1-4-8-13)18-23-14(11-15(27)26(18)24-17)12-25-9-5-2-6-10-25/h1,3-4,7-8,11,24H,2,5-6,9-10,12H2.
What are the key properties of 3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 376.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(piperidin-1-ylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 51356806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).