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

C16H19N3O2 — CID 122195726

IUPAC1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
SMILESCC(=O)N1c2cc(COc3ccccc3)nn2CCC1C
InChIInChI=1S/C16H19N3O2/c1-12-8-9-18-16(19(12)13(2)20)10-14(17-18)11-21-15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyIHRUOBGUAASDAB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.61
Rot. Bonds3

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

1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone (PubChem CID 122195726) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
PubChem CID122195726
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone
SMILESCC(=O)N1c2cc(COc3ccccc3)nn2CCC1C
InChIInChI=1S/C16H19N3O2/c1-12-8-9-18-16(19(12)13(2)20)10-14(17-18)11-21-15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyIHRUOBGUAASDAB-UHFFFAOYSA-N
XLogP2.61
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The IUPAC name of 1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone (CID 122195726) is 1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The canonical SMILES for 1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone is CC(=O)N1c2cc(COc3ccccc3)nn2CCC1C.
What is the InChIKey of 1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
The InChIKey is IHRUOBGUAASDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-8-9-18-16(19(12)13(2)20)10-14(17-18)11-21-15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3.
What are the key properties of 1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone?
1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]ethanone is sourced from PubChem (CID 122195726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).