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

C11H9N3OS — CID 62501368

IUPAC5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccoc2)c1-c1cccs1
InChIInChI=1S/C11H9N3OS/c12-11-9(8-2-1-5-16-8)10(13-14-11)7-3-4-15-6-7/h1-6H,(H3,12,13,14)
InChIKeyBGFUQEPNPSQUQT-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.98
Rot. Bonds2

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

5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine (PubChem CID 62501368) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
PubChem CID62501368
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccoc2)c1-c1cccs1
InChIInChI=1S/C11H9N3OS/c12-11-9(8-2-1-5-16-8)10(13-14-11)7-3-4-15-6-7/h1-6H,(H3,12,13,14)
InChIKeyBGFUQEPNPSQUQT-UHFFFAOYSA-N
XLogP2.98
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine (CID 62501368) is 5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccoc2)c1-c1cccs1.
What is the InChIKey of 5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
The InChIKey is BGFUQEPNPSQUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c12-11-9(8-2-1-5-16-8)10(13-14-11)7-3-4-15-6-7/h1-6H,(H3,12,13,14).
What are the key properties of 5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine?
5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine has a molecular weight of 231.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 62501368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).