2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline

C13H11N3S — CID 10514262

IUPAC2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline
SMILESNc1ccccc1-c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C13H11N3S/c14-10-5-2-1-4-9(10)11-8-12(16-15-11)13-6-3-7-17-13/h1-8H,14H2,(H,15,16)
InChIKeyQKUXARGMIITLJO-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.39
Rot. Bonds2

About 2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline

2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline (PubChem CID 10514262) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline.

Molecular Properties

Compound Name2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline
PubChem CID10514262
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline
SMILESNc1ccccc1-c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C13H11N3S/c14-10-5-2-1-4-9(10)11-8-12(16-15-11)13-6-3-7-17-13/h1-8H,14H2,(H,15,16)
InChIKeyQKUXARGMIITLJO-UHFFFAOYSA-N
XLogP3.39
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline?
The IUPAC name of 2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline (CID 10514262) is 2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline.
What is the SMILES notation for 2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline?
The canonical SMILES for 2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline is Nc1ccccc1-c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline?
The InChIKey is QKUXARGMIITLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c14-10-5-2-1-4-9(10)11-8-12(16-15-11)13-6-3-7-17-13/h1-8H,14H2,(H,15,16).
What are the key properties of 2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline?
2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline has a molecular weight of 241.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-yl-1H-pyrazol-3-yl)aniline is sourced from PubChem (CID 10514262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).