2-ethoxy-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide

C13H21N3O3 — CID 90622090

IUPAC2-ethoxy-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
SMILESCCOCC(=O)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C13H21N3O3/c1-2-18-10-13(17)15-12-7-14-16(9-12)8-11-3-5-19-6-4-11/h7,9,11H,2-6,8,10H2,1H3,(H,15,17)
InChIKeyKGNMJQHMGROQHT-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.28
Rot. Bonds6

About 2-ethoxy-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide

2-ethoxy-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 90622090) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID90622090
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-ethoxy-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
SMILESCCOCC(=O)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C13H21N3O3/c1-2-18-10-13(17)15-12-7-14-16(9-12)8-11-3-5-19-6-4-11/h7,9,11H,2-6,8,10H2,1H3,(H,15,17)
InChIKeyKGNMJQHMGROQHT-UHFFFAOYSA-N
XLogP1.28
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.28
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-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide (CID 90622090) is 2-ethoxy-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide is CCOCC(=O)Nc1cnn(CC2CCOCC2)c1.
What is the InChIKey of 2-ethoxy-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is KGNMJQHMGROQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-18-10-13(17)15-12-7-14-16(9-12)8-11-3-5-19-6-4-11/h7,9,11H,2-6,8,10H2,1H3,(H,15,17).
What are the key properties of 2-ethoxy-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
2-ethoxy-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 267.33 g/mol, XLogP of 1.28, 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-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 90622090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).