2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide

C12H11Cl2N3O2 — CID 60735799

IUPAC2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NCc1cn[nH]c1
InChIInChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(14)11(3-9)19-7-12(18)15-4-8-5-16-17-6-8/h1-3,5-6H,4,7H2,(H,15,18)(H,16,17)
InChIKeyIWFZBYQODQUBLZ-UHFFFAOYSA-N
MW300.14 g/mol
LogP2.41
Rot. Bonds5

About 2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide

2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 60735799) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.14 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID60735799
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.14 g/mol
Exact Mass299.02
IUPAC Name2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)NCc1cn[nH]c1
InChIInChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(14)11(3-9)19-7-12(18)15-4-8-5-16-17-6-8/h1-3,5-6H,4,7H2,(H,15,18)(H,16,17)
InChIKeyIWFZBYQODQUBLZ-UHFFFAOYSA-N
XLogP2.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 60736185
2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 37481539
2-(2,5-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 46665376
2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54982506
2-(2,5-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 35616684
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 8578532
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 47115759
2-(2,5-dichlorophenoxy)-N-(2-pyridin-3-ylethyl)acetamide
CID 24672717
2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858144
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 24563218
2-(2,5-dichlorophenoxy)-N-[(4-thiomorpholin-4-ylphenyl)methyl]acetamide
CID 55854945
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 60735799) is 2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide is O=C(COc1cc(Cl)ccc1Cl)NCc1cn[nH]c1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is IWFZBYQODQUBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(14)11(3-9)19-7-12(18)15-4-8-5-16-17-6-8/h1-3,5-6H,4,7H2,(H,15,18)(H,16,17).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide?
2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 300.14 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-(1H-pyrazol-4-ylmethyl)acetamide is sourced from PubChem (CID 60735799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).