2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide

C13H14FN3O2 — CID 32605444

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(C)c2)cc1F
InChIInChI=1S/C13H14FN3O2/c1-17-8-10(7-15-17)16-13(18)6-9-3-4-12(19-2)11(14)5-9/h3-5,7-8H,6H2,1-2H3,(H,16,18)
InChIKeyTUVYYQQTKGGGGE-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.75
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide

2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 32605444) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID32605444
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(C)c2)cc1F
InChIInChI=1S/C13H14FN3O2/c1-17-8-10(7-15-17)16-13(18)6-9-3-4-12(19-2)11(14)5-9/h3-5,7-8H,6H2,1-2H3,(H,16,18)
InChIKeyTUVYYQQTKGGGGE-UHFFFAOYSA-N
XLogP1.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide (CID 32605444) is 2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide is COc1ccc(CC(=O)Nc2cnn(C)c2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is TUVYYQQTKGGGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-17-8-10(7-15-17)16-13(18)6-9-3-4-12(19-2)11(14)5-9/h3-5,7-8H,6H2,1-2H3,(H,16,18).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide?
2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 263.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 32605444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).