2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide

C16H28N4O2 — CID 56707817

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide
SMILESCCc1c(C)nn(CC(=O)NCCC2CN(C)CCO2)c1C
InChIInChI=1S/C16H28N4O2/c1-5-15-12(2)18-20(13(15)3)11-16(21)17-7-6-14-10-19(4)8-9-22-14/h14H,5-11H2,1-4H3,(H,17,21)
InChIKeyHDHARNJBVYMXAQ-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.90
Rot. Bonds6

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide (PubChem CID 56707817) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide
PubChem CID56707817
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide
SMILESCCc1c(C)nn(CC(=O)NCCC2CN(C)CCO2)c1C
InChIInChI=1S/C16H28N4O2/c1-5-15-12(2)18-20(13(15)3)11-16(21)17-7-6-14-10-19(4)8-9-22-14/h14H,5-11H2,1-4H3,(H,17,21)
InChIKeyHDHARNJBVYMXAQ-UHFFFAOYSA-N
XLogP0.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide (CID 56707817) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide is CCc1c(C)nn(CC(=O)NCCC2CN(C)CCO2)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide?
The InChIKey is HDHARNJBVYMXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-15-12(2)18-20(13(15)3)11-16(21)17-7-6-14-10-19(4)8-9-22-14/h14H,5-11H2,1-4H3,(H,17,21).
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylmorpholin-2-yl)ethyl]acetamide is sourced from PubChem (CID 56707817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).