3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide

C15H13FN4O2S — CID 111456737

IUPAC3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)nn1CCO)c1ccncc1F
InChIInChI=1S/C15H13FN4O2S/c16-11-9-17-4-3-10(11)15(22)18-14-8-12(13-2-1-7-23-13)19-20(14)5-6-21/h1-4,7-9,21H,5-6H2,(H,18,22)
InChIKeyKKWIMNSGFJGPAF-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.39
Rot. Bonds5

About 3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide

3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide (PubChem CID 111456737) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide
PubChem CID111456737
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)nn1CCO)c1ccncc1F
InChIInChI=1S/C15H13FN4O2S/c16-11-9-17-4-3-10(11)15(22)18-14-8-12(13-2-1-7-23-13)19-20(14)5-6-21/h1-4,7-9,21H,5-6H2,(H,18,22)
InChIKeyKKWIMNSGFJGPAF-UHFFFAOYSA-N
XLogP2.39
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 110928302
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide
CID 110928260
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide
CID 110932034
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 110928296
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-hydroxyphenyl)acetamide
CID 110929023
3-fluoro-N-(2-thiophen-2-ylphenyl)pyridine-4-carboxamide
CID 115645633
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-(3-methylphenyl)acetamide
CID 110928235
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 167942610
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 64950888
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
N-[1-(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2,4-difluorobenzamide
CID 136605670

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide (CID 111456737) is 3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide is O=C(Nc1cc(-c2cccs2)nn1CCO)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide?
The InChIKey is KKWIMNSGFJGPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c16-11-9-17-4-3-10(11)15(22)18-14-8-12(13-2-1-7-23-13)19-20(14)5-6-21/h1-4,7-9,21H,5-6H2,(H,18,22).
What are the key properties of 3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide?
3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 111456737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).