1-thiophen-3-ylpyrazolidine

C7H10N2S — CID 175153310

IUPAC1-thiophen-3-ylpyrazolidine
SMILESc1cc(N2CCCN2)cs1
InChIInChI=1S/C7H10N2S/c1-3-8-9(4-1)7-2-5-10-6-7/h2,5-6,8H,1,3-4H2
InChIKeyBHYZRLITUZOXKO-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.46
Rot. Bonds1

About 1-thiophen-3-ylpyrazolidine

1-thiophen-3-ylpyrazolidine (PubChem CID 175153310) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 1-thiophen-3-ylpyrazolidine.

Molecular Properties

Compound Name1-thiophen-3-ylpyrazolidine
PubChem CID175153310
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name1-thiophen-3-ylpyrazolidine
SMILESc1cc(N2CCCN2)cs1
InChIInChI=1S/C7H10N2S/c1-3-8-9(4-1)7-2-5-10-6-7/h2,5-6,8H,1,3-4H2
InChIKeyBHYZRLITUZOXKO-UHFFFAOYSA-N
XLogP1.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylpyrazolidine?
The IUPAC name of 1-thiophen-3-ylpyrazolidine (CID 175153310) is 1-thiophen-3-ylpyrazolidine.
What is the SMILES notation for 1-thiophen-3-ylpyrazolidine?
The canonical SMILES for 1-thiophen-3-ylpyrazolidine is c1cc(N2CCCN2)cs1.
What is the InChIKey of 1-thiophen-3-ylpyrazolidine?
The InChIKey is BHYZRLITUZOXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-3-8-9(4-1)7-2-5-10-6-7/h2,5-6,8H,1,3-4H2.
What are the key properties of 1-thiophen-3-ylpyrazolidine?
1-thiophen-3-ylpyrazolidine has a molecular weight of 154.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylpyrazolidine is sourced from PubChem (CID 175153310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).