2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide

C13H14FN3O2 — CID 91636359

IUPAC2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide
SMILESCCn1cc(OCC(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C13H14FN3O2/c1-2-17-8-12(7-15-17)19-9-13(18)16-11-5-3-4-10(14)6-11/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyFFUBYIXUXAVGFK-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.06
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide

2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide (PubChem CID 91636359) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide
PubChem CID91636359
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide
SMILESCCn1cc(OCC(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C13H14FN3O2/c1-2-17-8-12(7-15-17)19-9-13(18)16-11-5-3-4-10(14)6-11/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyFFUBYIXUXAVGFK-UHFFFAOYSA-N
XLogP2.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
N-(3-fluorophenyl)-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107679675
2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide
CID 43543203
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
4-[2-(3-fluoroanilino)-2-oxoethoxy]benzamide
CID 7931240
N-tert-butyl-2-(1-ethylpyrazol-4-yl)oxyacetamide
CID 116804669
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 7966651
N-(3-fluorophenyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]acetamide
CID 49335848
1-[2-(3-fluoroanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502590
ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
CID 103569901
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870253

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide (CID 91636359) is 2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide is CCn1cc(OCC(=O)Nc2cccc(F)c2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide?
The InChIKey is FFUBYIXUXAVGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-2-17-8-12(7-15-17)19-9-13(18)16-11-5-3-4-10(14)6-11/h3-8H,2,9H2,1H3,(H,16,18).
What are the key properties of 2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide?
2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide has a molecular weight of 263.27 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 91636359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).