1-thiophen-2-ylpyrazol-3-amine

C7H7N3S — CID 70361976

IUPAC1-thiophen-2-ylpyrazol-3-amine
SMILESNc1ccn(-c2cccs2)n1
InChIInChI=1S/C7H7N3S/c8-6-3-4-10(9-6)7-2-1-5-11-7/h1-5H,(H2,8,9)
InChIKeyPUTXMFCORXIOFY-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.52
Rot. Bonds1

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

1-thiophen-2-ylpyrazol-3-amine (PubChem CID 70361976) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 1-thiophen-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name1-thiophen-2-ylpyrazol-3-amine
PubChem CID70361976
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name1-thiophen-2-ylpyrazol-3-amine
SMILESNc1ccn(-c2cccs2)n1
InChIInChI=1S/C7H7N3S/c8-6-3-4-10(9-6)7-2-1-5-11-7/h1-5H,(H2,8,9)
InChIKeyPUTXMFCORXIOFY-UHFFFAOYSA-N
XLogP1.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylpyrazol-3-amine?
The IUPAC name of 1-thiophen-2-ylpyrazol-3-amine (CID 70361976) is 1-thiophen-2-ylpyrazol-3-amine.
What is the SMILES notation for 1-thiophen-2-ylpyrazol-3-amine?
The canonical SMILES for 1-thiophen-2-ylpyrazol-3-amine is Nc1ccn(-c2cccs2)n1.
What is the InChIKey of 1-thiophen-2-ylpyrazol-3-amine?
The InChIKey is PUTXMFCORXIOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c8-6-3-4-10(9-6)7-2-1-5-11-7/h1-5H,(H2,8,9).
What are the key properties of 1-thiophen-2-ylpyrazol-3-amine?
1-thiophen-2-ylpyrazol-3-amine has a molecular weight of 165.22 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylpyrazol-3-amine is sourced from PubChem (CID 70361976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).