5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide

C16H14N6OS — CID 78154443

IUPAC5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccs2)[nH]n1)c1nnc2ccccn12
InChIInChI=1S/C16H14N6OS/c1-10(15-21-20-14-6-2-3-7-22(14)15)17-16(23)12-9-11(18-19-12)13-5-4-8-24-13/h2-10H,1H3,(H,17,23)(H,18,19)
InChIKeyLZLSGMPJDFQORX-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.67
Rot. Bonds4

About 5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide

5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 78154443) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID78154443
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccs2)[nH]n1)c1nnc2ccccn12
InChIInChI=1S/C16H14N6OS/c1-10(15-21-20-14-6-2-3-7-22(14)15)17-16(23)12-9-11(18-19-12)13-5-4-8-24-13/h2-10H,1H3,(H,17,23)(H,18,19)
InChIKeyLZLSGMPJDFQORX-UHFFFAOYSA-N
XLogP2.67
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-methylpyrazol-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 155963735
3-methyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 26884680
3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 47013045
(E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247935
4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 47013078
3-(4-chlorophenyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 30298139
2-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 103762817
2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 7693263
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-indole-2-carboxamide
CID 51247901
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 78881475
3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247608
2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
CID 24508292

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 78154443) is 5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide is CC(NC(=O)c1cc(-c2cccs2)[nH]n1)c1nnc2ccccn12.
What is the InChIKey of 5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is LZLSGMPJDFQORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-10(15-21-20-14-6-2-3-7-22(14)15)17-16(23)12-9-11(18-19-12)13-5-4-8-24-13/h2-10H,1H3,(H,17,23)(H,18,19).
What are the key properties of 5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 338.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78154443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).