1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

C16H21N3S — CID 105162301

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1CC(N)C1Cc2ccccc2S1
InChIInChI=1S/C16H21N3S/c1-3-19-13(8-11(2)18-19)10-14(17)16-9-12-6-4-5-7-15(12)20-16/h4-8,14,16H,3,9-10,17H2,1-2H3
InChIKeyBNKRFWPGRBHVTI-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.80
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (PubChem CID 105162301) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
PubChem CID105162301
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1CC(N)C1Cc2ccccc2S1
InChIInChI=1S/C16H21N3S/c1-3-19-13(8-11(2)18-19)10-14(17)16-9-12-6-4-5-7-15(12)20-16/h4-8,14,16H,3,9-10,17H2,1-2H3
InChIKeyBNKRFWPGRBHVTI-UHFFFAOYSA-N
XLogP2.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine 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-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 105160076
2,3-dihydro-1-benzothiophen-2-yl-(3-ethyltriazol-4-yl)methanamine
CID 114213470
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105169029
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105107239
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 105152342
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 105121936
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105137284
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(furan-2-yl)ethanamine
CID 105177243
1-(3-chlorothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002800
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanamine
CID 105137669
1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002556
1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 107189700

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (CID 105162301) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is CCn1nc(C)cc1CC(N)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The InChIKey is BNKRFWPGRBHVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-19-13(8-11(2)18-19)10-14(17)16-9-12-6-4-5-7-15(12)20-16/h4-8,14,16H,3,9-10,17H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine has a molecular weight of 287.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105162301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).