2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine

C10H13N3S — CID 82470463

IUPAC2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine
SMILESCc1cc(-c2cccs2)n(CCN)n1
InChIInChI=1S/C10H13N3S/c1-8-7-9(10-3-2-6-14-10)13(12-8)5-4-11/h2-3,6-7H,4-5,11H2,1H3
InChIKeyFVCAYKGLJYUUDD-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.88
Rot. Bonds3

About 2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine

2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine (PubChem CID 82470463) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine
PubChem CID82470463
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine
SMILESCc1cc(-c2cccs2)n(CCN)n1
InChIInChI=1S/C10H13N3S/c1-8-7-9(10-3-2-6-14-10)13(12-8)5-4-11/h2-3,6-7H,4-5,11H2,1H3
InChIKeyFVCAYKGLJYUUDD-UHFFFAOYSA-N
XLogP1.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine?
The IUPAC name of 2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine (CID 82470463) is 2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine is Cc1cc(-c2cccs2)n(CCN)n1.
What is the InChIKey of 2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine?
The InChIKey is FVCAYKGLJYUUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8-7-9(10-3-2-6-14-10)13(12-8)5-4-11/h2-3,6-7H,4-5,11H2,1H3.
What are the key properties of 2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine?
2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine has a molecular weight of 207.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-thiophen-2-ylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 82470463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).