N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine

C20H19N3OS — CID 167863696

IUPACN-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine
SMILESCOc1c(CNCc2csc3ccccc23)cccc1-n1cccn1
InChIInChI=1S/C20H19N3OS/c1-24-20-15(6-4-8-18(20)23-11-5-10-22-23)12-21-13-16-14-25-19-9-3-2-7-17(16)19/h2-11,14,21H,12-13H2,1H3
InChIKeyRAVPZYLLPCIXFG-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.39
Rot. Bonds6

About N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine

N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine (PubChem CID 167863696) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine
PubChem CID167863696
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine
SMILESCOc1c(CNCc2csc3ccccc23)cccc1-n1cccn1
InChIInChI=1S/C20H19N3OS/c1-24-20-15(6-4-8-18(20)23-11-5-10-22-23)12-21-13-16-14-25-19-9-3-2-7-17(16)19/h2-11,14,21H,12-13H2,1H3
InChIKeyRAVPZYLLPCIXFG-UHFFFAOYSA-N
XLogP4.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine (CID 167863696) is N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine is COc1c(CNCc2csc3ccccc23)cccc1-n1cccn1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine?
The InChIKey is RAVPZYLLPCIXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-24-20-15(6-4-8-18(20)23-11-5-10-22-23)12-21-13-16-14-25-19-9-3-2-7-17(16)19/h2-11,14,21H,12-13H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine?
N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine has a molecular weight of 349.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-1-(2-methoxy-3-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 167863696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).