4-(thiolan-2-yloxy)-1H-pyrazole

C7H10N2OS — CID 117233434

IUPAC4-(thiolan-2-yloxy)-1H-pyrazole
SMILESc1n[nH]cc1OC1CCCS1
InChIInChI=1S/C7H10N2OS/c1-2-7(11-3-1)10-6-4-8-9-5-6/h4-5,7H,1-3H2,(H,8,9)
InChIKeyCTVVTUXBZCWALZ-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.64
Rot. Bonds2

About 4-(thiolan-2-yloxy)-1H-pyrazole

4-(thiolan-2-yloxy)-1H-pyrazole (PubChem CID 117233434) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 4-(thiolan-2-yloxy)-1H-pyrazole.

Molecular Properties

Compound Name4-(thiolan-2-yloxy)-1H-pyrazole
PubChem CID117233434
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name4-(thiolan-2-yloxy)-1H-pyrazole
SMILESc1n[nH]cc1OC1CCCS1
InChIInChI=1S/C7H10N2OS/c1-2-7(11-3-1)10-6-4-8-9-5-6/h4-5,7H,1-3H2,(H,8,9)
InChIKeyCTVVTUXBZCWALZ-UHFFFAOYSA-N
XLogP1.64
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-2-yloxy)-1H-pyrazole?
The IUPAC name of 4-(thiolan-2-yloxy)-1H-pyrazole (CID 117233434) is 4-(thiolan-2-yloxy)-1H-pyrazole.
What is the SMILES notation for 4-(thiolan-2-yloxy)-1H-pyrazole?
The canonical SMILES for 4-(thiolan-2-yloxy)-1H-pyrazole is c1n[nH]cc1OC1CCCS1.
What is the InChIKey of 4-(thiolan-2-yloxy)-1H-pyrazole?
The InChIKey is CTVVTUXBZCWALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-2-7(11-3-1)10-6-4-8-9-5-6/h4-5,7H,1-3H2,(H,8,9).
What are the key properties of 4-(thiolan-2-yloxy)-1H-pyrazole?
4-(thiolan-2-yloxy)-1H-pyrazole has a molecular weight of 170.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-2-yloxy)-1H-pyrazole is sourced from PubChem (CID 117233434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).