1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one

C16H19N3O2 — CID 122195693

IUPAC1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one
SMILESCCC(=O)N1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C16H19N3O2/c1-2-16(20)18-9-6-10-19-15(18)11-13(17-19)12-21-14-7-4-3-5-8-14/h3-5,7-8,11H,2,6,9-10,12H2,1H3
InChIKeyXNGHHIXTKBGWJS-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.61
Rot. Bonds4

About 1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one

1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one (PubChem CID 122195693) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one
PubChem CID122195693
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one
SMILESCCC(=O)N1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C16H19N3O2/c1-2-16(20)18-9-6-10-19-15(18)11-13(17-19)12-21-14-7-4-3-5-8-14/h3-5,7-8,11H,2,6,9-10,12H2,1H3
InChIKeyXNGHHIXTKBGWJS-UHFFFAOYSA-N
XLogP2.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-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 1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one?
The IUPAC name of 1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one (CID 122195693) is 1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one.
What is the SMILES notation for 1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one?
The canonical SMILES for 1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one is CCC(=O)N1CCCn2nc(COc3ccccc3)cc21.
What is the InChIKey of 1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one?
The InChIKey is XNGHHIXTKBGWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-16(20)18-9-6-10-19-15(18)11-13(17-19)12-21-14-7-4-3-5-8-14/h3-5,7-8,11H,2,6,9-10,12H2,1H3.
What are the key properties of 1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one?
1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one has a molecular weight of 285.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one is sourced from PubChem (CID 122195693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).