3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

C10H15N3S — CID 83848751

IUPAC3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESC1CSC(c2n[nH]c3c2CNCC3)C1
InChIInChI=1S/C10H15N3S/c1-2-9(14-5-1)10-7-6-11-4-3-8(7)12-13-10/h9,11H,1-6H2,(H,12,13)
InChIKeyZGPKERDIABCJGJ-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.62
Rot. Bonds1

About 3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (PubChem CID 83848751) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
PubChem CID83848751
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
SMILESC1CSC(c2n[nH]c3c2CNCC3)C1
InChIInChI=1S/C10H15N3S/c1-2-9(14-5-1)10-7-6-11-4-3-8(7)12-13-10/h9,11H,1-6H2,(H,12,13)
InChIKeyZGPKERDIABCJGJ-UHFFFAOYSA-N
XLogP1.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine (CID 83848751) is 3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is C1CSC(c2n[nH]c3c2CNCC3)C1.
What is the InChIKey of 3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is ZGPKERDIABCJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-9(14-5-1)10-7-6-11-4-3-8(7)12-13-10/h9,11H,1-6H2,(H,12,13).
What are the key properties of 3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine?
3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 209.32 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiolan-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 83848751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).