2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H21N3O2 — CID 6457385

IUPAC2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C16H21N3O2/c1-10-7-6-8-11(2)16(10)21-9-14(20)17-15-12(3)18-19(5)13(15)4/h6-8H,9H2,1-5H3,(H,17,20)
InChIKeyQYMILLPAEDAQFF-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.67
Rot. Bonds4

About 2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 6457385) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID6457385
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C16H21N3O2/c1-10-7-6-8-11(2)16(10)21-9-14(20)17-15-12(3)18-19(5)13(15)4/h6-8H,9H2,1-5H3,(H,17,20)
InChIKeyQYMILLPAEDAQFF-UHFFFAOYSA-N
XLogP2.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 6457385) is 2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1cccc(C)c1OCC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is QYMILLPAEDAQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-7-6-8-11(2)16(10)21-9-14(20)17-15-12(3)18-19(5)13(15)4/h6-8H,9H2,1-5H3,(H,17,20).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 6457385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).