5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine

C13H13N3OS — CID 79094327

IUPAC5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCCc1ccc(-c2[nH]nc(N)c2-c2cccs2)o1
InChIInChI=1S/C13H13N3OS/c1-2-8-5-6-9(17-8)12-11(13(14)16-15-12)10-4-3-7-18-10/h3-7H,2H2,1H3,(H3,14,15,16)
InChIKeySIZBXGNMEJOSKV-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.54
Rot. Bonds3

About 5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine

5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 79094327) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID79094327
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCCc1ccc(-c2[nH]nc(N)c2-c2cccs2)o1
InChIInChI=1S/C13H13N3OS/c1-2-8-5-6-9(17-8)12-11(13(14)16-15-12)10-4-3-7-18-10/h3-7H,2H2,1H3,(H3,14,15,16)
InChIKeySIZBXGNMEJOSKV-UHFFFAOYSA-N
XLogP3.54
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 79094327) is 5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine is CCc1ccc(-c2[nH]nc(N)c2-c2cccs2)o1.
What is the InChIKey of 5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is SIZBXGNMEJOSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-2-8-5-6-9(17-8)12-11(13(14)16-15-12)10-4-3-7-18-10/h3-7H,2H2,1H3,(H3,14,15,16).
What are the key properties of 5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 259.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylfuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 79094327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).