4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide

C21H15FN4O — CID 45267753

IUPAC4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccccn3)n2)cc1
InChIInChI=1S/C21H15FN4O/c22-17-10-8-15(9-11-17)19-13-18(14-4-6-16(7-5-14)21(23)27)25-26(19)20-3-1-2-12-24-20/h1-13H,(H2,23,27)
InChIKeyPWUOIUVSQWEZHV-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.84
Rot. Bonds4

About 4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide

4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide (PubChem CID 45267753) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide
PubChem CID45267753
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccccn3)n2)cc1
InChIInChI=1S/C21H15FN4O/c22-17-10-8-15(9-11-17)19-13-18(14-4-6-16(7-5-14)21(23)27)25-26(19)20-3-1-2-12-24-20/h1-13H,(H2,23,27)
InChIKeyPWUOIUVSQWEZHV-UHFFFAOYSA-N
XLogP3.84
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide?
The IUPAC name of 4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide (CID 45267753) is 4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide is NC(=O)c1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide?
The InChIKey is PWUOIUVSQWEZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-17-10-8-15(9-11-17)19-13-18(14-4-6-16(7-5-14)21(23)27)25-26(19)20-3-1-2-12-24-20/h1-13H,(H2,23,27).
What are the key properties of 4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide?
4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide has a molecular weight of 358.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1-pyridin-2-ylpyrazol-3-yl]benzamide is sourced from PubChem (CID 45267753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).