4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide

C17H15FN4O — CID 90588267

IUPAC4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H15FN4O/c18-14-6-4-13(5-7-14)17(23)20-10-12-22-11-8-16(21-22)15-3-1-2-9-19-15/h1-9,11H,10,12H2,(H,20,23)
InChIKeyHXARMAACJCHGQY-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.51
Rot. Bonds5

About 4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide

4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 90588267) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID90588267
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2ccccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H15FN4O/c18-14-6-4-13(5-7-14)17(23)20-10-12-22-11-8-16(21-22)15-3-1-2-9-19-15/h1-9,11H,10,12H2,(H,20,23)
InChIKeyHXARMAACJCHGQY-UHFFFAOYSA-N
XLogP2.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588265
4-phenyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588347
4-phenoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588364
2-chloro-6-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588310
4-methyl-3-nitro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide
CID 90588318
3,3-dimethyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]butanamide
CID 90588258
5-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 71807997
4-fluoro-N-[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrazol-1-yl]ethyl]benzamide
CID 141198060
2-oxo-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]chromene-3-carboxamide
CID 71807939
1-(2-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
CID 90588515
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]benzamide
CID 86266110
4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90588080

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide (CID 90588267) is 4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide is O=C(NCCn1ccc(-c2ccccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is HXARMAACJCHGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-14-6-4-13(5-7-14)17(23)20-10-12-22-11-8-16(21-22)15-3-1-2-9-19-15/h1-9,11H,10,12H2,(H,20,23).
What are the key properties of 4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide?
4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 310.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90588267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).