N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine

C14H15N3S — CID 113339139

IUPACN-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
SMILESCC(NCc1csc2ccccc12)c1cn[nH]c1
InChIInChI=1S/C14H15N3S/c1-10(11-7-16-17-8-11)15-6-12-9-18-14-5-3-2-4-13(12)14/h2-5,7-10,15H,6H2,1H3,(H,16,17)
InChIKeyNYTFWPZMHATIGJ-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.48
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine

N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine (PubChem CID 113339139) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
PubChem CID113339139
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
SMILESCC(NCc1csc2ccccc12)c1cn[nH]c1
InChIInChI=1S/C14H15N3S/c1-10(11-7-16-17-8-11)15-6-12-9-18-14-5-3-2-4-13(12)14/h2-5,7-10,15H,6H2,1H3,(H,16,17)
InChIKeyNYTFWPZMHATIGJ-UHFFFAOYSA-N
XLogP3.48
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-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

(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-chlorophenyl)ethanamine
CID 81353422
(1R)-N-(1-benzothiophen-3-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 78921839
N-[(1-methylindol-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209349
N-[(2-chlorophenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103855026
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
(1S)-N-(1-benzothiophen-3-ylmethyl)-1-(3-chlorophenyl)ethanamine
CID 81365962
2-[[1-(1H-pyrazol-4-yl)ethylamino]methyl]benzonitrile
CID 113339174
N-(1-benzothiophen-3-ylmethyl)-1-chloropropan-2-amine
CID 65025851
N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 106209528
N-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 60704533
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103854906
N-(1-benzothiophen-3-ylmethyl)hexan-3-amine
CID 62698113

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine (CID 113339139) is N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine is CC(NCc1csc2ccccc12)c1cn[nH]c1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is NYTFWPZMHATIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-10(11-7-16-17-8-11)15-6-12-9-18-14-5-3-2-4-13(12)14/h2-5,7-10,15H,6H2,1H3,(H,16,17).
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine?
N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 257.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 113339139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).