2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide

C16H21N3O2 — CID 110716769

IUPAC2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
SMILESCc1nn(CCNC(=O)COc2ccccc2)c(C)c1C
InChIInChI=1S/C16H21N3O2/c1-12-13(2)18-19(14(12)3)10-9-17-16(20)11-21-15-7-5-4-6-8-15/h4-8H,9-11H2,1-3H3,(H,17,20)
InChIKeyCAAQNGNLNUELPC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.00
Rot. Bonds6

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

2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide (PubChem CID 110716769) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
PubChem CID110716769
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
SMILESCc1nn(CCNC(=O)COc2ccccc2)c(C)c1C
InChIInChI=1S/C16H21N3O2/c1-12-13(2)18-19(14(12)3)10-9-17-16(20)11-21-15-7-5-4-6-8-15/h4-8H,9-11H2,1-3H3,(H,17,20)
InChIKeyCAAQNGNLNUELPC-UHFFFAOYSA-N
XLogP2.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylphenyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716798
2,6-dimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716759
2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716746
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 42352426
2-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]propanamide
CID 110716730
2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033289
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
2-(4-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515704
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 121120758
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 122161610

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide (CID 110716769) is 2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide is Cc1nn(CCNC(=O)COc2ccccc2)c(C)c1C.
What is the InChIKey of 2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is CAAQNGNLNUELPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-13(2)18-19(14(12)3)10-9-17-16(20)11-21-15-7-5-4-6-8-15/h4-8H,9-11H2,1-3H3,(H,17,20).
What are the key properties of 2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide?
2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 110716769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).