5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide

C15H10F2N4O — CID 99821177

IUPAC5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2F)c1)c1ccc(F)cn1
InChIInChI=1S/C15H10F2N4O/c16-10-5-6-13(18-7-10)15(22)20-11-8-19-21(9-11)14-4-2-1-3-12(14)17/h1-9H,(H,20,22)
InChIKeyLWWNWOYNPMSARF-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.80
Rot. Bonds3

About 5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide

5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 99821177) has the molecular formula C15H10F2N4O and a molecular weight of 300.27 g/mol. Its IUPAC name is 5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID99821177
Molecular FormulaC15H10F2N4O
Molecular Weight300.27 g/mol
Exact Mass300.08
IUPAC Name5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2F)c1)c1ccc(F)cn1
InChIInChI=1S/C15H10F2N4O/c16-10-5-6-13(18-7-10)15(22)20-11-8-19-21(9-11)14-4-2-1-3-12(14)17/h1-9H,(H,20,22)
InChIKeyLWWNWOYNPMSARF-UHFFFAOYSA-N
XLogP2.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 99821177) is 5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cnn(-c2ccccc2F)c1)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is LWWNWOYNPMSARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O/c16-10-5-6-13(18-7-10)15(22)20-11-8-19-21(9-11)14-4-2-1-3-12(14)17/h1-9H,(H,20,22).
What are the key properties of 5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide?
5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 300.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 99821177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).