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

C17H21N3O2 — CID 122195694

IUPAC2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C17H21N3O2/c1-13(2)17(21)19-9-6-10-20-16(19)11-14(18-20)12-22-15-7-4-3-5-8-15/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3
InChIKeyMFNVTAZNELNQEZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.85
Rot. Bonds4

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

2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one (PubChem CID 122195694) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one
PubChem CID122195694
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCn2nc(COc3ccccc3)cc21
InChIInChI=1S/C17H21N3O2/c1-13(2)17(21)19-9-6-10-20-16(19)11-14(18-20)12-22-15-7-4-3-5-8-15/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3
InChIKeyMFNVTAZNELNQEZ-UHFFFAOYSA-N
XLogP2.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one (CID 122195694) is 2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one is CC(C)C(=O)N1CCCn2nc(COc3ccccc3)cc21.
What is the InChIKey of 2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one?
The InChIKey is MFNVTAZNELNQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(2)17(21)19-9-6-10-20-16(19)11-14(18-20)12-22-15-7-4-3-5-8-15/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one?
2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one has a molecular weight of 299.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]propan-1-one is sourced from PubChem (CID 122195694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).