1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine

C9H11N3S2 — CID 62137010

IUPAC1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine
SMILESNc1cnn(CCSc2cccs2)c1
InChIInChI=1S/C9H11N3S2/c10-8-6-11-12(7-8)3-5-14-9-2-1-4-13-9/h1-2,4,6-7H,3,5,10H2
InChIKeyDHWZWIKWELVNRN-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.32
Rot. Bonds4

About 1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine

1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine (PubChem CID 62137010) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine
PubChem CID62137010
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC Name1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine
SMILESNc1cnn(CCSc2cccs2)c1
InChIInChI=1S/C9H11N3S2/c10-8-6-11-12(7-8)3-5-14-9-2-1-4-13-9/h1-2,4,6-7H,3,5,10H2
InChIKeyDHWZWIKWELVNRN-UHFFFAOYSA-N
XLogP2.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine?
The IUPAC name of 1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine (CID 62137010) is 1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine is Nc1cnn(CCSc2cccs2)c1.
What is the InChIKey of 1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine?
The InChIKey is DHWZWIKWELVNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c10-8-6-11-12(7-8)3-5-14-9-2-1-4-13-9/h1-2,4,6-7H,3,5,10H2.
What are the key properties of 1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine?
1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine has a molecular weight of 225.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-thiophen-2-ylsulfanylethyl)pyrazol-4-amine is sourced from PubChem (CID 62137010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).