1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone

C13H11N3OS — CID 65360118

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone
SMILESNc1[nH]ncc1C(=O)Cc1csc2ccccc12
InChIInChI=1S/C13H11N3OS/c14-13-10(6-15-16-13)11(17)5-8-7-18-12-4-2-1-3-9(8)12/h1-4,6-7H,5H2,(H3,14,15,16)
InChIKeyCXGAKBKXUFNEKQ-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.63
Rot. Bonds3

About 1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone

1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone (PubChem CID 65360118) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone
PubChem CID65360118
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone
SMILESNc1[nH]ncc1C(=O)Cc1csc2ccccc12
InChIInChI=1S/C13H11N3OS/c14-13-10(6-15-16-13)11(17)5-8-7-18-12-4-2-1-3-9(8)12/h1-4,6-7H,5H2,(H3,14,15,16)
InChIKeyCXGAKBKXUFNEKQ-UHFFFAOYSA-N
XLogP2.63
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-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

2-(1-benzothiophen-3-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105085021
2-(1-benzothiophen-3-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 103124123
2-(1-benzothiophen-3-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114965639
2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone
CID 81491388
4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine
CID 68946010
1-(5-amino-1H-pyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 65360332
1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone
CID 116548203
2-(1-benzothiophen-3-yl)-1-(2-chloro-3-methylphenyl)ethanone
CID 114965661
[4-(1-benzothiophen-3-ylmethyl)-1H-pyrazol-5-yl]methanamine
CID 82386195
2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone
CID 107502507
2-(1-benzothiophen-3-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanone
CID 105085054
2-(1-benzothiophen-3-yl)-1-(2-bromo-4-methylphenyl)ethanone
CID 114965658

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone (CID 65360118) is 1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone is Nc1[nH]ncc1C(=O)Cc1csc2ccccc12.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone?
The InChIKey is CXGAKBKXUFNEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c14-13-10(6-15-16-13)11(17)5-8-7-18-12-4-2-1-3-9(8)12/h1-4,6-7H,5H2,(H3,14,15,16).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone?
1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone has a molecular weight of 257.32 g/mol, XLogP of 2.63, 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-(1-benzothiophen-3-yl)ethanone is sourced from PubChem (CID 65360118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).