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

C14H20N4O2 — CID 90620491

IUPAC2-ethoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
SMILESCCOCC(=O)NCCCc1cnc2cc(C)nn2c1
InChIInChI=1S/C14H20N4O2/c1-3-20-10-14(19)15-6-4-5-12-8-16-13-7-11(2)17-18(13)9-12/h7-9H,3-6,10H2,1-2H3,(H,15,19)
InChIKeySOOQJYGBMUNTOI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.12
Rot. Bonds7

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

2-ethoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide (PubChem CID 90620491) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
PubChem CID90620491
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-ethoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
SMILESCCOCC(=O)NCCCc1cnc2cc(C)nn2c1
InChIInChI=1S/C14H20N4O2/c1-3-20-10-14(19)15-6-4-5-12-8-16-13-7-11(2)17-18(13)9-12/h7-9H,3-6,10H2,1-2H3,(H,15,19)
InChIKeySOOQJYGBMUNTOI-UHFFFAOYSA-N
XLogP1.12
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.12
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-ethoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The IUPAC name of 2-ethoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide (CID 90620491) is 2-ethoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide is CCOCC(=O)NCCCc1cnc2cc(C)nn2c1.
What is the InChIKey of 2-ethoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The InChIKey is SOOQJYGBMUNTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-20-10-14(19)15-6-4-5-12-8-16-13-7-11(2)17-18(13)9-12/h7-9H,3-6,10H2,1-2H3,(H,15,19).
What are the key properties of 2-ethoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
2-ethoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide is sourced from PubChem (CID 90620491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).