3-(1-sulfanylpyrazol-3-yl)pyridine

C8H7N3S — CID 67474504

IUPAC3-(1-sulfanylpyrazol-3-yl)pyridine
SMILESSn1ccc(-c2cccnc2)n1
InChIInChI=1S/C8H7N3S/c12-11-5-3-8(10-11)7-2-1-4-9-6-7/h1-6,12H
InChIKeyDVOQBGQUKAPRRP-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.64
Rot. Bonds1

About 3-(1-sulfanylpyrazol-3-yl)pyridine

3-(1-sulfanylpyrazol-3-yl)pyridine (PubChem CID 67474504) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is 3-(1-sulfanylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name3-(1-sulfanylpyrazol-3-yl)pyridine
PubChem CID67474504
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC Name3-(1-sulfanylpyrazol-3-yl)pyridine
SMILESSn1ccc(-c2cccnc2)n1
InChIInChI=1S/C8H7N3S/c12-11-5-3-8(10-11)7-2-1-4-9-6-7/h1-6,12H
InChIKeyDVOQBGQUKAPRRP-UHFFFAOYSA-N
XLogP1.64
TPSA30.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(1-fluoropyrazol-3-yl)pyridine
CID 174166820
3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671
4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile
CID 174630636
2,6-dipyridin-3-ylpyridine
CID 13349632
3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine
CID 99964672
2-[2-(3-pyridin-3-ylpyrazol-1-yl)ethyl]isoindole-1,3-dione
CID 155798792
cyclopenta[c]azepine
CID 638010
2-pyridin-3-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 177343859
4-chloro-2-(3-pyridin-3-ylpyrazol-1-yl)phenol
CID 174616550
2-pyridin-3-ylimidazo[1,2-a]pyrimidine
CID 10035574
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239
8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine
CID 71492664

Frequently Asked Questions

What is the IUPAC name of 3-(1-sulfanylpyrazol-3-yl)pyridine?
The IUPAC name of 3-(1-sulfanylpyrazol-3-yl)pyridine (CID 67474504) is 3-(1-sulfanylpyrazol-3-yl)pyridine.
What is the SMILES notation for 3-(1-sulfanylpyrazol-3-yl)pyridine?
The canonical SMILES for 3-(1-sulfanylpyrazol-3-yl)pyridine is Sn1ccc(-c2cccnc2)n1.
What is the InChIKey of 3-(1-sulfanylpyrazol-3-yl)pyridine?
The InChIKey is DVOQBGQUKAPRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S/c12-11-5-3-8(10-11)7-2-1-4-9-6-7/h1-6,12H.
What are the key properties of 3-(1-sulfanylpyrazol-3-yl)pyridine?
3-(1-sulfanylpyrazol-3-yl)pyridine has a molecular weight of 177.23 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-sulfanylpyrazol-3-yl)pyridine is sourced from PubChem (CID 67474504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).