2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide

C16H10F4N4O — CID 138989555

IUPAC2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cn[nH]c1-c1ccccn1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C16H10F4N4O/c17-11-5-4-9(16(18,19)20)7-10(11)15(25)23-13-8-22-24-14(13)12-3-1-2-6-21-12/h1-8H,(H,22,24)(H,23,25)
InChIKeyFQPYZRUAOQPUBH-UHFFFAOYSA-N
MW350.28 g/mol
LogP3.88
Rot. Bonds3

About 2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide

2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide (PubChem CID 138989555) has the molecular formula C16H10F4N4O and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide
PubChem CID138989555
Molecular FormulaC16H10F4N4O
Molecular Weight350.28 g/mol
Exact Mass350.08
IUPAC Name2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cn[nH]c1-c1ccccn1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C16H10F4N4O/c17-11-5-4-9(16(18,19)20)7-10(11)15(25)23-13-8-22-24-14(13)12-3-1-2-6-21-12/h1-8H,(H,22,24)(H,23,25)
InChIKeyFQPYZRUAOQPUBH-UHFFFAOYSA-N
XLogP3.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide (CID 138989555) is 2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide is O=C(Nc1cn[nH]c1-c1ccccn1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is FQPYZRUAOQPUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N4O/c17-11-5-4-9(16(18,19)20)7-10(11)15(25)23-13-8-22-24-14(13)12-3-1-2-6-21-12/h1-8H,(H,22,24)(H,23,25).
What are the key properties of 2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide?
2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 350.28 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 138989555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).