2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide

C18H17FN4O2 — CID 126852859

IUPAC2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCCn1cc(-c2ccncc2)cn1
InChIInChI=1S/C18H17FN4O2/c19-16-1-3-17(4-2-16)25-13-18(24)21-9-10-23-12-15(11-22-23)14-5-7-20-8-6-14/h1-8,11-12H,9-10,13H2,(H,21,24)
InChIKeyKQEXOHINZDQYDV-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.28
Rot. Bonds7

About 2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide

2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 126852859) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID126852859
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCCn1cc(-c2ccncc2)cn1
InChIInChI=1S/C18H17FN4O2/c19-16-1-3-17(4-2-16)25-13-18(24)21-9-10-23-12-15(11-22-23)14-5-7-20-8-6-14/h1-8,11-12H,9-10,13H2,(H,21,24)
InChIKeyKQEXOHINZDQYDV-UHFFFAOYSA-N
XLogP2.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283314
2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614149
2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 126854924
2-(4-chlorophenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588042
N-methyl-2-(4-pyridin-4-ylpyrazol-1-yl)ethanamine
CID 121213954
1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea
CID 126852886
2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588072
2-(4-propan-2-ylphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588058
N-(2-methylpropyl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 119055389
2-(4-fluorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274335
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-yloxyacetamide
CID 110487949
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methylphenoxy)acetamide
CID 90516244

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide (CID 126852859) is 2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide is O=C(COc1ccc(F)cc1)NCCn1cc(-c2ccncc2)cn1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is KQEXOHINZDQYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-16-1-3-17(4-2-16)25-13-18(24)21-9-10-23-12-15(11-22-23)14-5-7-20-8-6-14/h1-8,11-12H,9-10,13H2,(H,21,24).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 340.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 126852859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).