2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide

C15H17Cl2N3O2 — CID 42110588

IUPAC2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C(C)C)n1
InChIInChI=1S/C15H17Cl2N3O2/c1-9(2)20-14(6-10(3)19-20)18-15(21)8-22-13-5-4-11(16)7-12(13)17/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyUXYMYKBAGNZCIG-UHFFFAOYSA-N
MW342.23 g/mol
LogP4.10
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 42110588) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID42110588
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C(C)C)n1
InChIInChI=1S/C15H17Cl2N3O2/c1-9(2)20-14(6-10(3)19-20)18-15(21)8-22-13-5-4-11(16)7-12(13)17/h4-7,9H,8H2,1-3H3,(H,18,21)
InChIKeyUXYMYKBAGNZCIG-UHFFFAOYSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide (CID 42110588) is 2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C(C)C)n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is UXYMYKBAGNZCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-9(2)20-14(6-10(3)19-20)18-15(21)8-22-13-5-4-11(16)7-12(13)17/h4-7,9H,8H2,1-3H3,(H,18,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 342.23 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 42110588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).