N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide

C18H17FN4O — CID 166322622

IUPACN-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
SMILESCCc1cc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)ccn1
InChIInChI=1S/C18H17FN4O/c1-2-14-11-15(7-9-20-14)21-18(24)12-16-8-10-23(22-16)17-5-3-13(19)4-6-17/h3-11H,2,12H2,1H3,(H,20,21,24)
InChIKeyHLUOAOQLZYHPBS-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.15
Rot. Bonds5

About N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide

N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide (PubChem CID 166322622) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
PubChem CID166322622
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
SMILESCCc1cc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)ccn1
InChIInChI=1S/C18H17FN4O/c1-2-14-11-15(7-9-20-14)21-18(24)12-16-8-10-23(22-16)17-5-3-13(19)4-6-17/h3-11H,2,12H2,1H3,(H,20,21,24)
InChIKeyHLUOAOQLZYHPBS-UHFFFAOYSA-N
XLogP3.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide (CID 166322622) is N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide is CCc1cc(NC(=O)Cc2ccn(-c3ccc(F)cc3)n2)ccn1.
What is the InChIKey of N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
The InChIKey is HLUOAOQLZYHPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-2-14-11-15(7-9-20-14)21-18(24)12-16-8-10-23(22-16)17-5-3-13(19)4-6-17/h3-11H,2,12H2,1H3,(H,20,21,24).
What are the key properties of N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide?
N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide has a molecular weight of 324.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-pyridinyl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 166322622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).