2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H19F3N4O — CID 110118283

IUPAC2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C3CCN(CCC(F)(F)F)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C15H19F3N4O/c1-10-8-13-19-12(9-14(23)22(13)20-10)11-2-5-21(6-3-11)7-4-15(16,17)18/h8-9,11,20H,2-7H2,1H3
InChIKeyAGSISBXOSRFRAE-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.46
Rot. Bonds3

About 2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110118283) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110118283
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C3CCN(CCC(F)(F)F)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C15H19F3N4O/c1-10-8-13-19-12(9-14(23)22(13)20-10)11-2-5-21(6-3-11)7-4-15(16,17)18/h8-9,11,20H,2-7H2,1H3
InChIKeyAGSISBXOSRFRAE-UHFFFAOYSA-N
XLogP2.46
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110118283) is 2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(C3CCN(CCC(F)(F)F)CC3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AGSISBXOSRFRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-10-8-13-19-12(9-14(23)22(13)20-10)11-2-5-21(6-3-11)7-4-15(16,17)18/h8-9,11,20H,2-7H2,1H3.
What are the key properties of 2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 328.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110118283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).