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

C15H16FN3O2 — CID 122195710

IUPAC1-[2-[(2-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
SMILESCC(=O)N1CCCn2nc(COc3ccccc3F)cc21
InChIInChI=1S/C15H16FN3O2/c1-11(20)18-7-4-8-19-15(18)9-12(17-19)10-21-14-6-3-2-5-13(14)16/h2-3,5-6,9H,4,7-8,10H2,1H3
InChIKeyKOWPZRJACNXZAU-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.36
Rot. Bonds3

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

1-[2-[(2-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone (PubChem CID 122195710) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
PubChem CID122195710
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[2-[(2-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
SMILESCC(=O)N1CCCn2nc(COc3ccccc3F)cc21
InChIInChI=1S/C15H16FN3O2/c1-11(20)18-7-4-8-19-15(18)9-12(17-19)10-21-14-6-3-2-5-13(14)16/h2-3,5-6,9H,4,7-8,10H2,1H3
InChIKeyKOWPZRJACNXZAU-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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Related Compounds

1-(2-(phenoxymethyl)-6,7-dihydropyrazolo(1,5-a)pyrimidin-4(5H)-yl)ethanone
CID 122195692
1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one
CID 122195693
2,2-dimethyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one
CID 122195695
cyclopropyl-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 122195696
1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-2-phenylethanone
CID 122195699
[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-phenylmethanone
CID 122195700
(3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 122195702
(4-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 122195703
1-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 122195711
1-[2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 122195725
1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 122195726
2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one
CID 122195694

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The IUPAC name of 1-[2-[(2-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone (CID 122195710) is 1-[2-[(2-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(2-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The canonical SMILES for 1-[2-[(2-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone is CC(=O)N1CCCn2nc(COc3ccccc3F)cc21.
What is the InChIKey of 1-[2-[(2-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The InChIKey is KOWPZRJACNXZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-11(20)18-7-4-8-19-15(18)9-12(17-19)10-21-14-6-3-2-5-13(14)16/h2-3,5-6,9H,4,7-8,10H2,1H3.
What are the key properties of 1-[2-[(2-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
1-[2-[(2-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-[(2-fluorophenoxy)methyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone is sourced from PubChem (CID 122195710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).