1-(thiolan-2-yl)pyrazole

C7H10N2S — CID 12524498

IUPAC1-(thiolan-2-yl)pyrazole
SMILESc1cnn(C2CCCS2)c1
InChIInChI=1S/C7H10N2S/c1-3-7(10-6-1)9-5-2-4-8-9/h2,4-5,7H,1,3,6H2
InChIKeyZPVDTQONSKSHDC-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.91
Rot. Bonds1

About 1-(thiolan-2-yl)pyrazole

1-(thiolan-2-yl)pyrazole (PubChem CID 12524498) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 1-(thiolan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(thiolan-2-yl)pyrazole
PubChem CID12524498
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name1-(thiolan-2-yl)pyrazole
SMILESc1cnn(C2CCCS2)c1
InChIInChI=1S/C7H10N2S/c1-3-7(10-6-1)9-5-2-4-8-9/h2,4-5,7H,1,3,6H2
InChIKeyZPVDTQONSKSHDC-UHFFFAOYSA-N
XLogP1.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-2-yl)pyrazole?
The IUPAC name of 1-(thiolan-2-yl)pyrazole (CID 12524498) is 1-(thiolan-2-yl)pyrazole.
What is the SMILES notation for 1-(thiolan-2-yl)pyrazole?
The canonical SMILES for 1-(thiolan-2-yl)pyrazole is c1cnn(C2CCCS2)c1.
What is the InChIKey of 1-(thiolan-2-yl)pyrazole?
The InChIKey is ZPVDTQONSKSHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-3-7(10-6-1)9-5-2-4-8-9/h2,4-5,7H,1,3,6H2.
What are the key properties of 1-(thiolan-2-yl)pyrazole?
1-(thiolan-2-yl)pyrazole has a molecular weight of 154.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-2-yl)pyrazole is sourced from PubChem (CID 12524498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).