3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate

C12H15N3O2 — CID 12773584

IUPAC3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate
SMILESCC(=O)OCCCc1cnc2cc(C)nn2c1
InChIInChI=1S/C12H15N3O2/c1-9-6-12-13-7-11(8-15(12)14-9)4-3-5-17-10(2)16/h6-8H,3-5H2,1-2H3
InChIKeyOYQNGLULQNNTSI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.53
Rot. Bonds4

About 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate

3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate (PubChem CID 12773584) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate.

Molecular Properties

Compound Name3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate
PubChem CID12773584
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate
SMILESCC(=O)OCCCc1cnc2cc(C)nn2c1
InChIInChI=1S/C12H15N3O2/c1-9-6-12-13-7-11(8-15(12)14-9)4-3-5-17-10(2)16/h6-8H,3-5H2,1-2H3
InChIKeyOYQNGLULQNNTSI-UHFFFAOYSA-N
XLogP1.53
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate?
The IUPAC name of 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate (CID 12773584) is 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate.
What is the SMILES notation for 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate?
The canonical SMILES for 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate is CC(=O)OCCCc1cnc2cc(C)nn2c1.
What is the InChIKey of 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate?
The InChIKey is OYQNGLULQNNTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-6-12-13-7-11(8-15(12)14-9)4-3-5-17-10(2)16/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate?
3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate has a molecular weight of 233.27 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl acetate is sourced from PubChem (CID 12773584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).