1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine

C16H19N3S — CID 103851641

IUPAC1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1c(CNC(C)c2cc3ccccc3s2)cnn1C
InChIInChI=1S/C16H19N3S/c1-11(17-9-14-10-18-19(3)12(14)2)16-8-13-6-4-5-7-15(13)20-16/h4-8,10-11,17H,9H2,1-3H3
InChIKeyHNFUEIIJQUOOGA-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.79
Rot. Bonds4

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

1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 103851641) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID103851641
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1c(CNC(C)c2cc3ccccc3s2)cnn1C
InChIInChI=1S/C16H19N3S/c1-11(17-9-14-10-18-19(3)12(14)2)16-8-13-6-4-5-7-15(13)20-16/h4-8,10-11,17H,9H2,1-3H3
InChIKeyHNFUEIIJQUOOGA-UHFFFAOYSA-N
XLogP3.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-2-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115767863
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398244
1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 114909932
1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 115617554
1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115617548
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79579138
1-(1-benzothiophen-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114909795
(1S)-1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81372486
1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 86781091
1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 104579268
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 79579433

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine (CID 103851641) is 1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine is Cc1c(CNC(C)c2cc3ccccc3s2)cnn1C.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is HNFUEIIJQUOOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11(17-9-14-10-18-19(3)12(14)2)16-8-13-6-4-5-7-15(13)20-16/h4-8,10-11,17H,9H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 285.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 103851641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).