4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine

C12H15N3S — CID 155449738

IUPAC4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine
SMILESCSc1cn(C(C)C)nc1-c1ccncc1
InChIInChI=1S/C12H15N3S/c1-9(2)15-8-11(16-3)12(14-15)10-4-6-13-7-5-10/h4-9H,1-3H3
InChIKeyVNSKSGYSTDGEBV-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.25
Rot. Bonds3

About 4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine

4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine (PubChem CID 155449738) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine
PubChem CID155449738
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine
SMILESCSc1cn(C(C)C)nc1-c1ccncc1
InChIInChI=1S/C12H15N3S/c1-9(2)15-8-11(16-3)12(14-15)10-4-6-13-7-5-10/h4-9H,1-3H3
InChIKeyVNSKSGYSTDGEBV-UHFFFAOYSA-N
XLogP3.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine?
The IUPAC name of 4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine (CID 155449738) is 4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine.
What is the SMILES notation for 4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine?
The canonical SMILES for 4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine is CSc1cn(C(C)C)nc1-c1ccncc1.
What is the InChIKey of 4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine?
The InChIKey is VNSKSGYSTDGEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9(2)15-8-11(16-3)12(14-15)10-4-6-13-7-5-10/h4-9H,1-3H3.
What are the key properties of 4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine?
4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine has a molecular weight of 233.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanyl-1-propan-2-ylpyrazol-3-yl)pyridine is sourced from PubChem (CID 155449738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).