1-(thiophen-3-ylmethyl)pyrazol-4-amine

C8H9N3S — CID 43646121

IUPAC1-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESNc1cnn(Cc2ccsc2)c1
InChIInChI=1S/C8H9N3S/c9-8-3-10-11(5-8)4-7-1-2-12-6-7/h1-3,5-6H,4,9H2
InChIKeyVYEKQJKAVDLLHL-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.58
Rot. Bonds2

About 1-(thiophen-3-ylmethyl)pyrazol-4-amine

1-(thiophen-3-ylmethyl)pyrazol-4-amine (PubChem CID 43646121) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(thiophen-3-ylmethyl)pyrazol-4-amine
PubChem CID43646121
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name1-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESNc1cnn(Cc2ccsc2)c1
InChIInChI=1S/C8H9N3S/c9-8-3-10-11(5-8)4-7-1-2-12-6-7/h1-3,5-6H,4,9H2
InChIKeyVYEKQJKAVDLLHL-UHFFFAOYSA-N
XLogP1.58
TPSA43.84 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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(thiophen-3-ylmethyl)pyrazol-4-amine (CID 43646121) is 1-(thiophen-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(thiophen-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(thiophen-3-ylmethyl)pyrazol-4-amine is Nc1cnn(Cc2ccsc2)c1.
What is the InChIKey of 1-(thiophen-3-ylmethyl)pyrazol-4-amine?
The InChIKey is VYEKQJKAVDLLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c9-8-3-10-11(5-8)4-7-1-2-12-6-7/h1-3,5-6H,4,9H2.
What are the key properties of 1-(thiophen-3-ylmethyl)pyrazol-4-amine?
1-(thiophen-3-ylmethyl)pyrazol-4-amine has a molecular weight of 179.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 43646121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).