2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone

C14H13N3OS — CID 116604897

IUPAC2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(N)C(=O)c2cccc3ccsc23)cn1
InChIInChI=1S/C14H13N3OS/c1-17-8-10(7-16-17)12(15)13(18)11-4-2-3-9-5-6-19-14(9)11/h2-8,12H,15H2,1H3
InChIKeyULFFGWDRRDYXAR-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.52
Rot. Bonds3

About 2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone

2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 116604897) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID116604897
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(N)C(=O)c2cccc3ccsc23)cn1
InChIInChI=1S/C14H13N3OS/c1-17-8-10(7-16-17)12(15)13(18)11-4-2-3-9-5-6-19-14(9)11/h2-8,12H,15H2,1H3
InChIKeyULFFGWDRRDYXAR-UHFFFAOYSA-N
XLogP2.52
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methanone
CID 81153366
2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 116604855
[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228332
2-amino-1-(3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116604908
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone
CID 116604826
1-amino-1-(1-methylpyrazol-4-yl)-3-naphthalen-1-ylpropan-2-one
CID 116604835
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone
CID 116604933
N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81153707
2-amino-1-(4-tert-butylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116605016
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114670883
1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone
CID 138594047
2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 115289633

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone (CID 116604897) is 2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(N)C(=O)c2cccc3ccsc23)cn1.
What is the InChIKey of 2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is ULFFGWDRRDYXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-17-8-10(7-16-17)12(15)13(18)11-4-2-3-9-5-6-19-14(9)11/h2-8,12H,15H2,1H3.
What are the key properties of 2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone?
2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 271.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-benzothiophen-7-yl)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 116604897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).