1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone

C14H16N4O2 — CID 122195716

IUPAC1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
SMILESCC(=O)N1CCCn2nc(COc3ccncc3)cc21
InChIInChI=1S/C14H16N4O2/c1-11(19)17-7-2-8-18-14(17)9-12(16-18)10-20-13-3-5-15-6-4-13/h3-6,9H,2,7-8,10H2,1H3
InChIKeyAPVFKMKRUZMGMK-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.61
Rot. Bonds3

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

1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone (PubChem CID 122195716) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
PubChem CID122195716
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
SMILESCC(=O)N1CCCn2nc(COc3ccncc3)cc21
InChIInChI=1S/C14H16N4O2/c1-11(19)17-7-2-8-18-14(17)9-12(16-18)10-20-13-3-5-15-6-4-13/h3-6,9H,2,7-8,10H2,1H3
InChIKeyAPVFKMKRUZMGMK-UHFFFAOYSA-N
XLogP1.61
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The IUPAC name of 1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone (CID 122195716) is 1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone.
What is the SMILES notation for 1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The canonical SMILES for 1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone is CC(=O)N1CCCn2nc(COc3ccncc3)cc21.
What is the InChIKey of 1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The InChIKey is APVFKMKRUZMGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-11(19)17-7-2-8-18-14(17)9-12(16-18)10-20-13-3-5-15-6-4-13/h3-6,9H,2,7-8,10H2,1H3.
What are the key properties of 1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone has a molecular weight of 272.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyridin-4-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone is sourced from PubChem (CID 122195716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).