1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone

C15H16FN3O2 — CID 122195711

IUPAC1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
SMILESCC(=O)N1CCCn2nc(COc3cccc(F)c3)cc21
InChIInChI=1S/C15H16FN3O2/c1-11(20)18-6-3-7-19-15(18)9-13(17-19)10-21-14-5-2-4-12(16)8-14/h2,4-5,8-9H,3,6-7,10H2,1H3
InChIKeyOLKQZPTXYHYAGH-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.36
Rot. Bonds3

About 1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone

1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone (PubChem CID 122195711) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
PubChem CID122195711
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
SMILESCC(=O)N1CCCn2nc(COc3cccc(F)c3)cc21
InChIInChI=1S/C15H16FN3O2/c1-11(20)18-6-3-7-19-15(18)9-13(17-19)10-21-14-5-2-4-12(16)8-14/h2,4-5,8-9H,3,6-7,10H2,1H3
InChIKeyOLKQZPTXYHYAGH-UHFFFAOYSA-N
XLogP2.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The IUPAC name of 1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone (CID 122195711) is 1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The canonical SMILES for 1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone is CC(=O)N1CCCn2nc(COc3cccc(F)c3)cc21.
What is the InChIKey of 1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The InChIKey is OLKQZPTXYHYAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-11(20)18-6-3-7-19-15(18)9-13(17-19)10-21-14-5-2-4-12(16)8-14/h2,4-5,8-9H,3,6-7,10H2,1H3.
What are the key properties of 1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone has a molecular weight of 289.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone is sourced from PubChem (CID 122195711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).