2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide

C13H15N3O3 — CID 51228906

IUPAC2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccn(C)n2)cc1
InChIInChI=1S/C13H15N3O3/c1-16-8-7-12(15-16)14-13(17)9-19-11-5-3-10(18-2)4-6-11/h3-8H,9H2,1-2H3,(H,14,15,17)
InChIKeyQLSZDJVXBAYPKW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.45
Rot. Bonds5

About 2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide

2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 51228906) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID51228906
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccn(C)n2)cc1
InChIInChI=1S/C13H15N3O3/c1-16-8-7-12(15-16)14-13(17)9-19-11-5-3-10(18-2)4-6-11/h3-8H,9H2,1-2H3,(H,14,15,17)
InChIKeyQLSZDJVXBAYPKW-UHFFFAOYSA-N
XLogP1.45
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 8810740
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CID 18152521
2-(3-bromophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
CID 7638236
N-(1-methylpyrazol-3-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 18152526
2-(4-methoxyphenoxy)-N-(6-methyl-2-pyridinyl)acetamide
CID 3146339
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
2-(4-methoxyphenoxy)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 166327221
2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 18152667
5-methoxy-2-[(1-methylpyrazol-3-yl)carbamoylamino]benzoic acid
CID 115412123
2-(4-methoxyphenoxy)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 90544868
2-(3-methoxy-4-methylphenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 16622145
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 27034289

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide (CID 51228906) is 2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide is COc1ccc(OCC(=O)Nc2ccn(C)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is QLSZDJVXBAYPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16-8-7-12(15-16)14-13(17)9-19-11-5-3-10(18-2)4-6-11/h3-8H,9H2,1-2H3,(H,14,15,17).
What are the key properties of 2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 261.28 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 51228906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).