1-methyl-N-thiophen-2-ylpyrazol-4-amine

C8H9N3S — CID 141361572

IUPAC1-methyl-N-thiophen-2-ylpyrazol-4-amine
SMILESCn1cc(Nc2cccs2)cn1
InChIInChI=1S/C8H9N3S/c1-11-6-7(5-9-11)10-8-3-2-4-12-8/h2-6,10H,1H3
InChIKeyIICWSNBCYXAMDC-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.23
Rot. Bonds2

About 1-methyl-N-thiophen-2-ylpyrazol-4-amine

1-methyl-N-thiophen-2-ylpyrazol-4-amine (PubChem CID 141361572) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 1-methyl-N-thiophen-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-thiophen-2-ylpyrazol-4-amine
PubChem CID141361572
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name1-methyl-N-thiophen-2-ylpyrazol-4-amine
SMILESCn1cc(Nc2cccs2)cn1
InChIInChI=1S/C8H9N3S/c1-11-6-7(5-9-11)10-8-3-2-4-12-8/h2-6,10H,1H3
InChIKeyIICWSNBCYXAMDC-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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-thiophen-2-ylpyrazol-4-amine?
The IUPAC name of 1-methyl-N-thiophen-2-ylpyrazol-4-amine (CID 141361572) is 1-methyl-N-thiophen-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-thiophen-2-ylpyrazol-4-amine?
The canonical SMILES for 1-methyl-N-thiophen-2-ylpyrazol-4-amine is Cn1cc(Nc2cccs2)cn1.
What is the InChIKey of 1-methyl-N-thiophen-2-ylpyrazol-4-amine?
The InChIKey is IICWSNBCYXAMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-11-6-7(5-9-11)10-8-3-2-4-12-8/h2-6,10H,1H3.
What are the key properties of 1-methyl-N-thiophen-2-ylpyrazol-4-amine?
1-methyl-N-thiophen-2-ylpyrazol-4-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-4-amine is sourced from PubChem (CID 141361572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).