1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone

C9H9N3OS — CID 65361755

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone
SMILESNc1[nH]ncc1C(=O)Cc1cccs1
InChIInChI=1S/C9H9N3OS/c10-9-7(5-11-12-9)8(13)4-6-2-1-3-14-6/h1-3,5H,4H2,(H3,10,11,12)
InChIKeyATEPVEDUYDFSTP-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.48
Rot. Bonds3

About 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone

1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone (PubChem CID 65361755) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone
PubChem CID65361755
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone
SMILESNc1[nH]ncc1C(=O)Cc1cccs1
InChIInChI=1S/C9H9N3OS/c10-9-7(5-11-12-9)8(13)4-6-2-1-3-14-6/h1-3,5H,4H2,(H3,10,11,12)
InChIKeyATEPVEDUYDFSTP-UHFFFAOYSA-N
XLogP1.48
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone 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-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone (CID 65361755) is 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone is Nc1[nH]ncc1C(=O)Cc1cccs1.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone?
The InChIKey is ATEPVEDUYDFSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c10-9-7(5-11-12-9)8(13)4-6-2-1-3-14-6/h1-3,5H,4H2,(H3,10,11,12).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone?
1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone has a molecular weight of 207.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 65361755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).