1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine

C16H19N3OS — CID 51105302

IUPAC1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCOc1c(CNCc2cc3ccccc3s2)c(C)nn1C
InChIInChI=1S/C16H19N3OS/c1-11-14(16(20-3)19(2)18-11)10-17-9-13-8-12-6-4-5-7-15(12)21-13/h4-8,17H,9-10H2,1-3H3
InChIKeyFJXWOIAUZKMLGI-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.24
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine

1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 51105302) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
PubChem CID51105302
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCOc1c(CNCc2cc3ccccc3s2)c(C)nn1C
InChIInChI=1S/C16H19N3OS/c1-11-14(16(20-3)19(2)18-11)10-17-9-13-8-12-6-4-5-7-15(12)21-13/h4-8,17H,9-10H2,1-3H3
InChIKeyFJXWOIAUZKMLGI-UHFFFAOYSA-N
XLogP3.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine 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-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 113229317
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 115603366
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 51105217
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107234184
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 115884025
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-phenoxy-4-pyridinyl)methanamine
CID 51104998
1-(2-bromo-4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 51105241
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanylaniline
CID 115884163
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 51105192
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51105163
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 115627595

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine (CID 51105302) is 1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine is COc1c(CNCc2cc3ccccc3s2)c(C)nn1C.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is FJXWOIAUZKMLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-14(16(20-3)19(2)18-11)10-17-9-13-8-12-6-4-5-7-15(12)21-13/h4-8,17H,9-10H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine?
1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 301.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 51105302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).