2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide

C13H17N3O2S — CID 100731350

IUPAC2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCCn1cc(OCC(=O)NCc2ccc(C)s2)cn1
InChIInChI=1S/C13H17N3O2S/c1-3-16-8-11(6-15-16)18-9-13(17)14-7-12-5-4-10(2)19-12/h4-6,8H,3,7,9H2,1-2H3,(H,14,17)
InChIKeyIIMOEGZUEBOENR-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.97
Rot. Bonds6

About 2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide

2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 100731350) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID100731350
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCCn1cc(OCC(=O)NCc2ccc(C)s2)cn1
InChIInChI=1S/C13H17N3O2S/c1-3-16-8-11(6-15-16)18-9-13(17)14-7-12-5-4-10(2)19-12/h4-6,8H,3,7,9H2,1-2H3,(H,14,17)
InChIKeyIIMOEGZUEBOENR-UHFFFAOYSA-N
XLogP1.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 100731350) is 2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide is CCn1cc(OCC(=O)NCc2ccc(C)s2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is IIMOEGZUEBOENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-16-8-11(6-15-16)18-9-13(17)14-7-12-5-4-10(2)19-12/h4-6,8H,3,7,9H2,1-2H3,(H,14,17).
What are the key properties of 2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide?
2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 279.37 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)oxy-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 100731350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).