N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine

C17H21N3S — CID 105172877

IUPACN-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc2ccsc12)c1cc(CC)nn1C
InChIInChI=1S/C17H21N3S/c1-4-13-11-15(20(3)19-13)16(18-5-2)14-8-6-7-12-9-10-21-17(12)14/h6-11,16,18H,4-5H2,1-3H3
InChIKeyQOZPXSLJPGLSNA-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.90
Rot. Bonds5

About N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine

N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine (PubChem CID 105172877) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
PubChem CID105172877
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1cccc2ccsc12)c1cc(CC)nn1C
InChIInChI=1S/C17H21N3S/c1-4-13-11-15(20(3)19-13)16(18-5-2)14-8-6-7-12-9-10-21-17(12)14/h6-11,16,18H,4-5H2,1-3H3
InChIKeyQOZPXSLJPGLSNA-UHFFFAOYSA-N
XLogP3.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]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

N-[(3-ethyl-1-methylpyrazol-5-yl)-thiophen-2-ylmethyl]ethanamine
CID 105100657
N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105172840
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105172867
1-benzothiophen-7-yl-(1,3-diethylpyrazol-5-yl)methanol
CID 105119200
N-[1-benzothiophen-7-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105021991
N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81153707
N-[2,3-dihydro-1-benzofuran-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105189478
N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine
CID 81153684
N-[1-benzothiophen-7-yl-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 105022095
N-[(3-ethyl-1-methylpyrazol-5-yl)-(3-fluorophenyl)methyl]ethanamine
CID 105093037
N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine
CID 105172732
N-[(4-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105140865

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine (CID 105172877) is N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine is CCNC(c1cccc2ccsc12)c1cc(CC)nn1C.
What is the InChIKey of N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is QOZPXSLJPGLSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-4-13-11-15(20(3)19-13)16(18-5-2)14-8-6-7-12-9-10-21-17(12)14/h6-11,16,18H,4-5H2,1-3H3.
What are the key properties of N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine?
N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 299.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105172877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).