2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C16H21N3O3 — CID 9354234

IUPAC2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C16H21N3O3/c1-10-6-7-13(14(8-10)21-5)22-9-15(20)17-16-11(2)18-19(4)12(16)3/h6-8H,9H2,1-5H3,(H,17,20)
InChIKeyWXRPKXILKGIQSS-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.37
Rot. Bonds5

About 2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 9354234) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID9354234
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C16H21N3O3/c1-10-6-7-13(14(8-10)21-5)22-9-15(20)17-16-11(2)18-19(4)12(16)3/h6-8H,9H2,1-5H3,(H,17,20)
InChIKeyWXRPKXILKGIQSS-UHFFFAOYSA-N
XLogP2.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 86930066
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 5-chloro-2-methoxybenzoate
CID 7715367
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (3S)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8643396
2-(2,3,4,5,6-pentachlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78811961
2-[[2-(2-ethoxyphenoxy)acetyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8810901
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 8641161
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9355643
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetate
CID 8520676
2-(5-fluoro-2-nitrophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7701837
methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749035
2-(2-methoxyethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 103606715

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 9354234) is 2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is COc1cc(C)ccc1OCC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is WXRPKXILKGIQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-6-7-13(14(8-10)21-5)22-9-15(20)17-16-11(2)18-19(4)12(16)3/h6-8H,9H2,1-5H3,(H,17,20).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 9354234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).