1-propyl-N-(thian-4-yl)pyrazol-4-amine

C11H19N3S — CID 84591792

IUPAC1-propyl-N-(thian-4-yl)pyrazol-4-amine
SMILESCCCn1cc(NC2CCSCC2)cn1
InChIInChI=1S/C11H19N3S/c1-2-5-14-9-11(8-12-14)13-10-3-6-15-7-4-10/h8-10,13H,2-7H2,1H3
InChIKeyLJNSYXSPXJOQDP-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.60
Rot. Bonds4

About 1-propyl-N-(thian-4-yl)pyrazol-4-amine

1-propyl-N-(thian-4-yl)pyrazol-4-amine (PubChem CID 84591792) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-propyl-N-(thian-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-propyl-N-(thian-4-yl)pyrazol-4-amine
PubChem CID84591792
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-propyl-N-(thian-4-yl)pyrazol-4-amine
SMILESCCCn1cc(NC2CCSCC2)cn1
InChIInChI=1S/C11H19N3S/c1-2-5-14-9-11(8-12-14)13-10-3-6-15-7-4-10/h8-10,13H,2-7H2,1H3
InChIKeyLJNSYXSPXJOQDP-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(thian-4-yl)pyrazol-4-amine?
The IUPAC name of 1-propyl-N-(thian-4-yl)pyrazol-4-amine (CID 84591792) is 1-propyl-N-(thian-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-propyl-N-(thian-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-propyl-N-(thian-4-yl)pyrazol-4-amine is CCCn1cc(NC2CCSCC2)cn1.
What is the InChIKey of 1-propyl-N-(thian-4-yl)pyrazol-4-amine?
The InChIKey is LJNSYXSPXJOQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-5-14-9-11(8-12-14)13-10-3-6-15-7-4-10/h8-10,13H,2-7H2,1H3.
What are the key properties of 1-propyl-N-(thian-4-yl)pyrazol-4-amine?
1-propyl-N-(thian-4-yl)pyrazol-4-amine has a molecular weight of 225.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(thian-4-yl)pyrazol-4-amine is sourced from PubChem (CID 84591792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).