2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide

C12H12FN3O2 — CID 16622030

IUPAC2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)COc2ccccc2F)n1
InChIInChI=1S/C12H12FN3O2/c1-16-7-6-11(15-16)14-12(17)8-18-10-5-3-2-4-9(10)13/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyMOMWVXYVUUFFMG-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.58
Rot. Bonds4

About 2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide

2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 16622030) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID16622030
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide
SMILESCn1ccc(NC(=O)COc2ccccc2F)n1
InChIInChI=1S/C12H12FN3O2/c1-16-7-6-11(15-16)14-12(17)8-18-10-5-3-2-4-9(10)13/h2-7H,8H2,1H3,(H,14,15,17)
InChIKeyMOMWVXYVUUFFMG-UHFFFAOYSA-N
XLogP1.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide (CID 16622030) is 2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide is Cn1ccc(NC(=O)COc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is MOMWVXYVUUFFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-16-7-6-11(15-16)14-12(17)8-18-10-5-3-2-4-9(10)13/h2-7H,8H2,1H3,(H,14,15,17).
What are the key properties of 2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide?
2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 249.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 16622030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).