5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine

C13H13N3OS — CID 55079590

IUPAC5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CCc2ccco2)c1-c1cccs1
InChIInChI=1S/C13H13N3OS/c14-13-12(11-4-2-8-18-11)10(15-16-13)6-5-9-3-1-7-17-9/h1-4,7-8H,5-6H2,(H3,14,15,16)
InChIKeyPEFMPCIJJRXGKR-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.10
Rot. Bonds4

About 5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine

5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 55079590) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID55079590
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CCc2ccco2)c1-c1cccs1
InChIInChI=1S/C13H13N3OS/c14-13-12(11-4-2-8-18-11)10(15-16-13)6-5-9-3-1-7-17-9/h1-4,7-8H,5-6H2,(H3,14,15,16)
InChIKeyPEFMPCIJJRXGKR-UHFFFAOYSA-N
XLogP3.10
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 55079590) is 5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine is Nc1n[nH]c(CCc2ccco2)c1-c1cccs1.
What is the InChIKey of 5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is PEFMPCIJJRXGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c14-13-12(11-4-2-8-18-11)10(15-16-13)6-5-9-3-1-7-17-9/h1-4,7-8H,5-6H2,(H3,14,15,16).
What are the key properties of 5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 259.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)ethyl]-4-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 55079590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).