2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C16H21N3O2 — CID 86992670

IUPAC2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)n[nH]1
InChIInChI=1S/C16H21N3O2/c1-11-9-14(19-18-11)17-15(20)10-21-13-7-5-12(6-8-13)16(2,3)4/h5-9H,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyWGHHWJPSVGGVBL-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.03
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide

2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 86992670) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID86992670
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)n[nH]1
InChIInChI=1S/C16H21N3O2/c1-11-9-14(19-18-11)17-15(20)10-21-13-7-5-12(6-8-13)16(2,3)4/h5-9H,10H2,1-4H3,(H2,17,18,19,20)
InChIKeyWGHHWJPSVGGVBL-UHFFFAOYSA-N
XLogP3.03
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
N'-[2-(4-tert-butylphenoxy)acetyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 3321462
2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 802579
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865
2-(4-aminophenoxy)-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 104616360
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-iodophenoxy)acetamide
CID 55976047
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519416
4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47038574
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]carbamothioyl]acetamide
CID 5170367
2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114306

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 86992670) is 2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)n[nH]1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is WGHHWJPSVGGVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-9-14(19-18-11)17-15(20)10-21-13-7-5-12(6-8-13)16(2,3)4/h5-9H,10H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 86992670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).