2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one

C11H11N3OS — CID 46832026

IUPAC2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1ccccn1)CCSC2
InChIInChI=1S/C11H11N3OS/c15-11-8-7-16-6-4-9(8)13-14(11)10-3-1-2-5-12-10/h1-3,5,13H,4,6-7H2
InChIKeyHWAUXIQWZLSIEK-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.35
Rot. Bonds1

About 2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one

2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one (PubChem CID 46832026) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one.

Molecular Properties

Compound Name2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
PubChem CID46832026
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1ccccn1)CCSC2
InChIInChI=1S/C11H11N3OS/c15-11-8-7-16-6-4-9(8)13-14(11)10-3-1-2-5-12-10/h1-3,5,13H,4,6-7H2
InChIKeyHWAUXIQWZLSIEK-UHFFFAOYSA-N
XLogP1.35
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
The IUPAC name of 2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one (CID 46832026) is 2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one.
What is the SMILES notation for 2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
The canonical SMILES for 2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one is O=c1c2c([nH]n1-c1ccccn1)CCSC2.
What is the InChIKey of 2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
The InChIKey is HWAUXIQWZLSIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c15-11-8-7-16-6-4-9(8)13-14(11)10-3-1-2-5-12-10/h1-3,5,13H,4,6-7H2.
What are the key properties of 2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one?
2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one has a molecular weight of 233.30 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one is sourced from PubChem (CID 46832026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).