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

C13H13N3OS — CID 62503057

IUPAC5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2cccs2)c(C)o1
InChIInChI=1S/C13H13N3OS/c1-7-6-9(8(2)17-7)12-11(13(14)16-15-12)10-4-3-5-18-10/h3-6H,1-2H3,(H3,14,15,16)
InChIKeyWNBHUDCYQDGMBS-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.60
Rot. Bonds2

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

5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 62503057) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID62503057
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2cccs2)c(C)o1
InChIInChI=1S/C13H13N3OS/c1-7-6-9(8(2)17-7)12-11(13(14)16-15-12)10-4-3-5-18-10/h3-6H,1-2H3,(H3,14,15,16)
InChIKeyWNBHUDCYQDGMBS-UHFFFAOYSA-N
XLogP3.60
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 62503057) is 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2-c2cccs2)c(C)o1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is WNBHUDCYQDGMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-7-6-9(8(2)17-7)12-11(13(14)16-15-12)10-4-3-5-18-10/h3-6H,1-2H3,(H3,14,15,16).
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 259.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 62503057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).