5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H19F3N4O — CID 70653309

IUPAC5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CC(C(F)(F)F)CCN3C)[nH]n2c(=O)c1C
InChIInChI=1S/C15H19F3N4O/c1-8-9(2)19-13-7-11(20-22(13)14(8)23)12-6-10(15(16,17)18)4-5-21(12)3/h7,10,12,20H,4-6H2,1-3H3
InChIKeyPJRCZKKBJAUZAF-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.58
Rot. Bonds1

About 5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70653309) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is 5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70653309
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CC(C(F)(F)F)CCN3C)[nH]n2c(=O)c1C
InChIInChI=1S/C15H19F3N4O/c1-8-9(2)19-13-7-11(20-22(13)14(8)23)12-6-10(15(16,17)18)4-5-21(12)3/h7,10,12,20H,4-6H2,1-3H3
InChIKeyPJRCZKKBJAUZAF-UHFFFAOYSA-N
XLogP2.58
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70653309) is 5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(C3CC(C(F)(F)F)CCN3C)[nH]n2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PJRCZKKBJAUZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-8-9(2)19-13-7-11(20-22(13)14(8)23)12-6-10(15(16,17)18)4-5-21(12)3/h7,10,12,20H,4-6H2,1-3H3.
What are the key properties of 5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 328.34 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[1-methyl-4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70653309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).