3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine

C10H17N3S — CID 105465402

IUPAC3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(C2CCSC2)c1
InChIInChI=1S/C10H17N3S/c11-4-1-2-9-6-12-13(7-9)10-3-5-14-8-10/h6-7,10H,1-5,8,11H2
InChIKeyDXIGTCPNSLTLJE-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.45
Rot. Bonds4

About 3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine

3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine (PubChem CID 105465402) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine
PubChem CID105465402
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(C2CCSC2)c1
InChIInChI=1S/C10H17N3S/c11-4-1-2-9-6-12-13(7-9)10-3-5-14-8-10/h6-7,10H,1-5,8,11H2
InChIKeyDXIGTCPNSLTLJE-UHFFFAOYSA-N
XLogP1.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine (CID 105465402) is 3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine is NCCCc1cnn(C2CCSC2)c1.
What is the InChIKey of 3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine?
The InChIKey is DXIGTCPNSLTLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c11-4-1-2-9-6-12-13(7-9)10-3-5-14-8-10/h6-7,10H,1-5,8,11H2.
What are the key properties of 3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine?
3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(thiolan-3-yl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 105465402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).