2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide

C17H23N3O2 — CID 35325113

IUPAC2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccnn1CC(C)C
InChIInChI=1S/C17H23N3O2/c1-12(2)10-20-15(8-9-18-20)19-16(21)11-22-17-13(3)6-5-7-14(17)4/h5-9,12H,10-11H2,1-4H3,(H,19,21)
InChIKeyNESWVSXQFMIPNS-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.17
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide

2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide (PubChem CID 35325113) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
PubChem CID35325113
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccnn1CC(C)C
InChIInChI=1S/C17H23N3O2/c1-12(2)10-20-15(8-9-18-20)19-16(21)11-22-17-13(3)6-5-7-14(17)4/h5-9,12H,10-11H2,1-4H3,(H,19,21)
InChIKeyNESWVSXQFMIPNS-UHFFFAOYSA-N
XLogP3.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 134026099
2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 134026082
N-(2-propan-2-ylpyrazol-3-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 30181870
2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772434
3-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35439410
7-chloro-3-methyl-N-[2-(2-methylpropyl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 134021312
2-(2,6-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393587
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 35447404
N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide
CID 134014296
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056
4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35327495
2-(2,6-dimethylphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949731

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide (CID 35325113) is 2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide is Cc1cccc(C)c1OCC(=O)Nc1ccnn1CC(C)C.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide?
The InChIKey is NESWVSXQFMIPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)10-20-15(8-9-18-20)19-16(21)11-22-17-13(3)6-5-7-14(17)4/h5-9,12H,10-11H2,1-4H3,(H,19,21).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide?
2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide has a molecular weight of 301.39 g/mol, XLogP of 3.17, 6 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-[2-(2-methylpropyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 35325113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).