1-methyl-3-thiophen-2-ylpyrazol-5-amine

C8H9N3S — CID 2735377

IUPAC1-methyl-3-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2cccs2)cc1N
InChIInChI=1S/C8H9N3S/c1-11-8(9)5-6(10-11)7-3-2-4-12-7/h2-5H,9H2,1H3
InChIKeyNFTITKUYTQZKIZ-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.73
Rot. Bonds1

About 1-methyl-3-thiophen-2-ylpyrazol-5-amine

1-methyl-3-thiophen-2-ylpyrazol-5-amine (PubChem CID 2735377) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 1-methyl-3-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-thiophen-2-ylpyrazol-5-amine
PubChem CID2735377
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name1-methyl-3-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2cccs2)cc1N
InChIInChI=1S/C8H9N3S/c1-11-8(9)5-6(10-11)7-3-2-4-12-7/h2-5H,9H2,1H3
InChIKeyNFTITKUYTQZKIZ-UHFFFAOYSA-N
XLogP1.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-thiophen-2-ylpyrazol-5-amine (CID 2735377) is 1-methyl-3-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-thiophen-2-ylpyrazol-5-amine is Cn1nc(-c2cccs2)cc1N.
What is the InChIKey of 1-methyl-3-thiophen-2-ylpyrazol-5-amine?
The InChIKey is NFTITKUYTQZKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-11-8(9)5-6(10-11)7-3-2-4-12-7/h2-5H,9H2,1H3.
What are the key properties of 1-methyl-3-thiophen-2-ylpyrazol-5-amine?
1-methyl-3-thiophen-2-ylpyrazol-5-amine has a molecular weight of 179.25 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 2735377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).