2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine

C11H19N3S — CID 105483318

IUPAC2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine
SMILESCC(CN)c1cnn(C2CCSCC2)c1
InChIInChI=1S/C11H19N3S/c1-9(6-12)10-7-13-14(8-10)11-2-4-15-5-3-11/h7-9,11H,2-6,12H2,1H3
InChIKeyURAPFXYICMJQAN-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.01
Rot. Bonds3

About 2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine

2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine (PubChem CID 105483318) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine
PubChem CID105483318
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine
SMILESCC(CN)c1cnn(C2CCSCC2)c1
InChIInChI=1S/C11H19N3S/c1-9(6-12)10-7-13-14(8-10)11-2-4-15-5-3-11/h7-9,11H,2-6,12H2,1H3
InChIKeyURAPFXYICMJQAN-UHFFFAOYSA-N
XLogP2.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of 2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine (CID 105483318) is 2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine is CC(CN)c1cnn(C2CCSCC2)c1.
What is the InChIKey of 2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine?
The InChIKey is URAPFXYICMJQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9(6-12)10-7-13-14(8-10)11-2-4-15-5-3-11/h7-9,11H,2-6,12H2,1H3.
What are the key properties of 2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine?
2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thian-4-yl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 105483318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).