2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine

C17H15N5S — CID 850139

IUPAC2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine
SMILESCc1ccn(-c2cc(-c3cccs3)cc(-n3ccc(C)n3)n2)n1
InChIInChI=1S/C17H15N5S/c1-12-5-7-21(19-12)16-10-14(15-4-3-9-23-15)11-17(18-16)22-8-6-13(2)20-22/h3-11H,1-2H3
InChIKeyYFKNMTKRALCAPE-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.80
Rot. Bonds3

About 2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine

2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine (PubChem CID 850139) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine.

Molecular Properties

Compound Name2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine
PubChem CID850139
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine
SMILESCc1ccn(-c2cc(-c3cccs3)cc(-n3ccc(C)n3)n2)n1
InChIInChI=1S/C17H15N5S/c1-12-5-7-21(19-12)16-10-14(15-4-3-9-23-15)11-17(18-16)22-8-6-13(2)20-22/h3-11H,1-2H3
InChIKeyYFKNMTKRALCAPE-UHFFFAOYSA-N
XLogP3.80
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine?
The IUPAC name of 2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine (CID 850139) is 2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine.
What is the SMILES notation for 2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine?
The canonical SMILES for 2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine is Cc1ccn(-c2cc(-c3cccs3)cc(-n3ccc(C)n3)n2)n1.
What is the InChIKey of 2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine?
The InChIKey is YFKNMTKRALCAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-12-5-7-21(19-12)16-10-14(15-4-3-9-23-15)11-17(18-16)22-8-6-13(2)20-22/h3-11H,1-2H3.
What are the key properties of 2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine?
2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine has a molecular weight of 321.41 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-methylpyrazol-1-yl)-4-thiophen-2-ylpyridine is sourced from PubChem (CID 850139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).