2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine

C14H13N3S — CID 141201596

IUPAC2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine
SMILESCc1cccc(-n2ncc(C)c2-c2cccs2)n1
InChIInChI=1S/C14H13N3S/c1-10-9-15-17(13-7-3-5-11(2)16-13)14(10)12-6-4-8-18-12/h3-9H,1-2H3
InChIKeyDGPIDZMQLDNPGY-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.61
Rot. Bonds2

About 2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine

2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine (PubChem CID 141201596) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine
PubChem CID141201596
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine
SMILESCc1cccc(-n2ncc(C)c2-c2cccs2)n1
InChIInChI=1S/C14H13N3S/c1-10-9-15-17(13-7-3-5-11(2)16-13)14(10)12-6-4-8-18-12/h3-9H,1-2H3
InChIKeyDGPIDZMQLDNPGY-UHFFFAOYSA-N
XLogP3.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine?
The IUPAC name of 2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine (CID 141201596) is 2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine.
What is the SMILES notation for 2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine?
The canonical SMILES for 2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine is Cc1cccc(-n2ncc(C)c2-c2cccs2)n1.
What is the InChIKey of 2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine?
The InChIKey is DGPIDZMQLDNPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-9-15-17(13-7-3-5-11(2)16-13)14(10)12-6-4-8-18-12/h3-9H,1-2H3.
What are the key properties of 2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine?
2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine has a molecular weight of 255.35 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methyl-5-thiophen-2-ylpyrazol-1-yl)pyridine is sourced from PubChem (CID 141201596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).