2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide

C18H17FN4O — CID 71807910

IUPAC2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCn1ccc(-c2ccccn2)n1
InChIInChI=1S/C18H17FN4O/c19-15-6-4-14(5-7-15)13-18(24)21-10-12-23-11-8-17(22-23)16-3-1-2-9-20-16/h1-9,11H,10,12-13H2,(H,21,24)
InChIKeyQPKKWGDFRWWQCE-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.44
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide

2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 71807910) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID71807910
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCn1ccc(-c2ccccn2)n1
InChIInChI=1S/C18H17FN4O/c19-15-6-4-14(5-7-15)13-18(24)21-10-12-23-11-8-17(22-23)16-3-1-2-9-20-16/h1-9,11H,10,12-13H2,(H,21,24)
InChIKeyQPKKWGDFRWWQCE-UHFFFAOYSA-N
XLogP2.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide (CID 71807910) is 2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide is O=C(Cc1ccc(F)cc1)NCCn1ccc(-c2ccccn2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is QPKKWGDFRWWQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-15-6-4-14(5-7-15)13-18(24)21-10-12-23-11-8-17(22-23)16-3-1-2-9-20-16/h1-9,11H,10,12-13H2,(H,21,24).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 324.36 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 71807910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).