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

C13H18N4O2 — CID 90620556

IUPAC2-methoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
SMILESCOCC(=O)NCCCc1cnc2cc(C)nn2c1
InChIInChI=1S/C13H18N4O2/c1-10-6-12-15-7-11(8-17(12)16-10)4-3-5-14-13(18)9-19-2/h6-8H,3-5,9H2,1-2H3,(H,14,18)
InChIKeyGVGAPPBICUOBMY-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.73
Rot. Bonds6

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

2-methoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide (PubChem CID 90620556) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
PubChem CID90620556
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-methoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
SMILESCOCC(=O)NCCCc1cnc2cc(C)nn2c1
InChIInChI=1S/C13H18N4O2/c1-10-6-12-15-7-11(8-17(12)16-10)4-3-5-14-13(18)9-19-2/h6-8H,3-5,9H2,1-2H3,(H,14,18)
InChIKeyGVGAPPBICUOBMY-UHFFFAOYSA-N
XLogP0.73
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
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 2-methoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide (CID 90620556) is 2-methoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide is COCC(=O)NCCCc1cnc2cc(C)nn2c1.
What is the InChIKey of 2-methoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The InChIKey is GVGAPPBICUOBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10-6-12-15-7-11(8-17(12)16-10)4-3-5-14-13(18)9-19-2/h6-8H,3-5,9H2,1-2H3,(H,14,18).
What are the key properties of 2-methoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
2-methoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide has a molecular weight of 262.31 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide is sourced from PubChem (CID 90620556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).