1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine

C15H16FN3OS — CID 116793662

IUPAC1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine
SMILESCNCc1sc2cccc(F)c2c1COc1cnn(C)c1
InChIInChI=1S/C15H16FN3OS/c1-17-7-14-11(9-20-10-6-18-19(2)8-10)15-12(16)4-3-5-13(15)21-14/h3-6,8,17H,7,9H2,1-2H3
InChIKeyHOVMHFALJUTECF-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.07
Rot. Bonds5

About 1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine

1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine (PubChem CID 116793662) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine
PubChem CID116793662
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC Name1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine
SMILESCNCc1sc2cccc(F)c2c1COc1cnn(C)c1
InChIInChI=1S/C15H16FN3OS/c1-17-7-14-11(9-20-10-6-18-19(2)8-10)15-12(16)4-3-5-13(15)21-14/h3-6,8,17H,7,9H2,1-2H3
InChIKeyHOVMHFALJUTECF-UHFFFAOYSA-N
XLogP3.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine 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

[4-Fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]methanamine
CID 116793611
[3-[(1-Ethylpyrazol-4-yl)oxymethyl]-4-fluoro-1-benzothiophen-2-yl]methanamine
CID 116803303
1-[(4-Fluorophenyl)methyl]-4-[(5-methylthiophen-3-yl)methoxy]pyrazole
CID 155961688
[3-[(1,3,5-Trimethylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]methanamine
CID 65555168
N-methyl-1-[5-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107559279
1-[5-[(1-ethylpyrazol-4-yl)oxymethyl]thiophen-2-yl]-N-methylmethanamine
CID 107559286
N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107559294
4-(1-Benzothiophen-3-ylmethoxy)-1-methylpyrazole
CID 113564752
4-(1-Benzothiophen-3-ylmethoxy)-1-ethylpyrazole
CID 113566242
2-methyl-N-[[5-methyl-4-[(1-methylpyrazol-4-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 116793528
N-[[3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]methyl]ethanamine
CID 116793549
[3-[(1-Methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]methanamine
CID 116793579

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine (CID 116793662) is 1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine is CNCc1sc2cccc(F)c2c1COc1cnn(C)c1.
What is the InChIKey of 1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine?
The InChIKey is HOVMHFALJUTECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-17-7-14-11(9-20-10-6-18-19(2)8-10)15-12(16)4-3-5-13(15)21-14/h3-6,8,17H,7,9H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine?
1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine has a molecular weight of 305.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzothiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 116793662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).