2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide

C14H18N4O2 — CID 90554945

IUPAC2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
SMILESCCOCC(=O)NCc1cc(-c2ccncc2)n(C)n1
InChIInChI=1S/C14H18N4O2/c1-3-20-10-14(19)16-9-12-8-13(18(2)17-12)11-4-6-15-7-5-11/h4-8H,3,9-10H2,1-2H3,(H,16,19)
InChIKeyOSGAHJTWTRMZNS-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.13
Rot. Bonds6

About 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide

2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide (PubChem CID 90554945) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
PubChem CID90554945
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
SMILESCCOCC(=O)NCc1cc(-c2ccncc2)n(C)n1
InChIInChI=1S/C14H18N4O2/c1-3-20-10-14(19)16-9-12-8-13(18(2)17-12)11-4-6-15-7-5-11/h4-8H,3,9-10H2,1-2H3,(H,16,19)
InChIKeyOSGAHJTWTRMZNS-UHFFFAOYSA-N
XLogP1.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide (CID 90554945) is 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide is CCOCC(=O)NCc1cc(-c2ccncc2)n(C)n1.
What is the InChIKey of 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
The InChIKey is OSGAHJTWTRMZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-10-14(19)16-9-12-8-13(18(2)17-12)11-4-6-15-7-5-11/h4-8H,3,9-10H2,1-2H3,(H,16,19).
What are the key properties of 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide?
2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 90554945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).