1-methyl-N-thiophen-2-ylpyrazol-3-amine

C8H9N3S — CID 141361580

IUPAC1-methyl-N-thiophen-2-ylpyrazol-3-amine
SMILESCn1ccc(Nc2cccs2)n1
InChIInChI=1S/C8H9N3S/c1-11-5-4-7(10-11)9-8-3-2-6-12-8/h2-6H,1H3,(H,9,10)
InChIKeyKAOKETRNTGWXMP-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.23
Rot. Bonds2

About 1-methyl-N-thiophen-2-ylpyrazol-3-amine

1-methyl-N-thiophen-2-ylpyrazol-3-amine (PubChem CID 141361580) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 1-methyl-N-thiophen-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-thiophen-2-ylpyrazol-3-amine
PubChem CID141361580
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name1-methyl-N-thiophen-2-ylpyrazol-3-amine
SMILESCn1ccc(Nc2cccs2)n1
InChIInChI=1S/C8H9N3S/c1-11-5-4-7(10-11)9-8-3-2-6-12-8/h2-6H,1H3,(H,9,10)
InChIKeyKAOKETRNTGWXMP-UHFFFAOYSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-thiophen-2-ylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-thiophen-2-ylpyrazol-3-amine?
The IUPAC name of 1-methyl-N-thiophen-2-ylpyrazol-3-amine (CID 141361580) is 1-methyl-N-thiophen-2-ylpyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-thiophen-2-ylpyrazol-3-amine?
The canonical SMILES for 1-methyl-N-thiophen-2-ylpyrazol-3-amine is Cn1ccc(Nc2cccs2)n1.
What is the InChIKey of 1-methyl-N-thiophen-2-ylpyrazol-3-amine?
The InChIKey is KAOKETRNTGWXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-11-5-4-7(10-11)9-8-3-2-6-12-8/h2-6H,1H3,(H,9,10).
What are the key properties of 1-methyl-N-thiophen-2-ylpyrazol-3-amine?
1-methyl-N-thiophen-2-ylpyrazol-3-amine has a molecular weight of 179.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-thiophen-2-ylpyrazol-3-amine is sourced from PubChem (CID 141361580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).