(5-thiophen-2-ylpyrazolidin-3-yl)methanamine

C8H13N3S — CID 170906424

IUPAC(5-thiophen-2-ylpyrazolidin-3-yl)methanamine
SMILESNCC1CC(c2cccs2)NN1
InChIInChI=1S/C8H13N3S/c9-5-6-4-7(11-10-6)8-2-1-3-12-8/h1-3,6-7,10-11H,4-5,9H2
InChIKeyNFXZFYRYURTZGZ-UHFFFAOYSA-N
MW183.28 g/mol
LogP0.61
Rot. Bonds2

About (5-thiophen-2-ylpyrazolidin-3-yl)methanamine

(5-thiophen-2-ylpyrazolidin-3-yl)methanamine (PubChem CID 170906424) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is (5-thiophen-2-ylpyrazolidin-3-yl)methanamine.

Molecular Properties

Compound Name(5-thiophen-2-ylpyrazolidin-3-yl)methanamine
PubChem CID170906424
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name(5-thiophen-2-ylpyrazolidin-3-yl)methanamine
SMILESNCC1CC(c2cccs2)NN1
InChIInChI=1S/C8H13N3S/c9-5-6-4-7(11-10-6)8-2-1-3-12-8/h1-3,6-7,10-11H,4-5,9H2
InChIKeyNFXZFYRYURTZGZ-UHFFFAOYSA-N
XLogP0.61
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-ylpyrazolidin-3-yl)methanamine?
The IUPAC name of (5-thiophen-2-ylpyrazolidin-3-yl)methanamine (CID 170906424) is (5-thiophen-2-ylpyrazolidin-3-yl)methanamine.
What is the SMILES notation for (5-thiophen-2-ylpyrazolidin-3-yl)methanamine?
The canonical SMILES for (5-thiophen-2-ylpyrazolidin-3-yl)methanamine is NCC1CC(c2cccs2)NN1.
What is the InChIKey of (5-thiophen-2-ylpyrazolidin-3-yl)methanamine?
The InChIKey is NFXZFYRYURTZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-5-6-4-7(11-10-6)8-2-1-3-12-8/h1-3,6-7,10-11H,4-5,9H2.
What are the key properties of (5-thiophen-2-ylpyrazolidin-3-yl)methanamine?
(5-thiophen-2-ylpyrazolidin-3-yl)methanamine has a molecular weight of 183.28 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-ylpyrazolidin-3-yl)methanamine is sourced from PubChem (CID 170906424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).