N-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide

C13H10N4O3S2 — CID 52935193

IUPACN-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cnn(S(=O)(=O)c2ccsc2)c1)c1ccccn1
InChIInChI=1S/C13H10N4O3S2/c18-13(12-3-1-2-5-14-12)16-10-7-15-17(8-10)22(19,20)11-4-6-21-9-11/h1-9H,(H,16,18)
InChIKeyFOSFPMDXYCJXNT-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.83
Rot. Bonds4

About N-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide

N-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 52935193) has the molecular formula C13H10N4O3S2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID52935193
Molecular FormulaC13H10N4O3S2
Molecular Weight334.38 g/mol
Exact Mass334.02
IUPAC NameN-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cnn(S(=O)(=O)c2ccsc2)c1)c1ccccn1
InChIInChI=1S/C13H10N4O3S2/c18-13(12-3-1-2-5-14-12)16-10-7-15-17(8-10)22(19,20)11-4-6-21-9-11/h1-9H,(H,16,18)
InChIKeyFOSFPMDXYCJXNT-UHFFFAOYSA-N
XLogP1.83
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-phenyl-N-(pyridin-3-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 2999058
Pyrazole scaffold, 7g
CID 25218482
US9586948, Example 22
CID 117872182
N-[(Z)-pyridin-4-ylmethylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
CID 164627645
N-[1-(3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934738
N-[1-(3,4,5-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935191
N-[1-(2,3,4-trifluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935412
N-[1-[(6-chloro-2-pyridinyl)sulfonyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 52935838
1-[5-[[[(2S)-2-aminopropanoyl]amino]methyl]thiophen-2-yl]-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 44591444
N-[1-(3,4-difluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934739
N-[1-(4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934741
N-[1-(2,4-difluorophenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935623

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide (CID 52935193) is N-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide is O=C(Nc1cnn(S(=O)(=O)c2ccsc2)c1)c1ccccn1.
What is the InChIKey of N-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is FOSFPMDXYCJXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3S2/c18-13(12-3-1-2-5-14-12)16-10-7-15-17(8-10)22(19,20)11-4-6-21-9-11/h1-9H,(H,16,18).
What are the key properties of N-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide?
N-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylsulfonylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 52935193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).