N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine

C15H17N3S — CID 81153707

IUPACN-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1cccc2ccsc12
InChIInChI=1S/C15H17N3S/c1-3-16-14(12-9-17-18(2)10-12)13-6-4-5-11-7-8-19-15(11)13/h4-10,14,16H,3H2,1-2H3
InChIKeyFFOLGTQGQALDSE-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.33
Rot. Bonds4

About N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine

N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 81153707) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID81153707
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1cccc2ccsc12
InChIInChI=1S/C15H17N3S/c1-3-16-14(12-9-17-18(2)10-12)13-6-4-5-11-7-8-19-15(11)13/h4-10,14,16H,3H2,1-2H3
InChIKeyFFOLGTQGQALDSE-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-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

[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228332
N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43492495
N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine
CID 105172732
N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105172840
N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492469
N-[(3-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808627
N-[1-benzothiophen-7-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105021991
N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine
CID 81153684
N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105172877
N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61332232
N-methyl-1-(1-methylpyrazol-4-yl)-1-naphthalen-1-ylmethanamine
CID 43485969
N-[(2-fluoro-3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 82808028

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 81153707) is N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)c1cccc2ccsc12.
What is the InChIKey of N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is FFOLGTQGQALDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-3-16-14(12-9-17-18(2)10-12)13-6-4-5-11-7-8-19-15(11)13/h4-10,14,16H,3H2,1-2H3.
What are the key properties of N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 271.39 g/mol, XLogP of 3.33, 4 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-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81153707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).