1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine

C15H17N3S — CID 115617554

IUPAC1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCC(NCc1ccn(C)n1)c1cc2ccccc2s1
InChIInChI=1S/C15H17N3S/c1-11(16-10-13-7-8-18(2)17-13)15-9-12-5-3-4-6-14(12)19-15/h3-9,11,16H,10H2,1-2H3
InChIKeyKSNYQZAADWUTQB-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.49
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine

1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 115617554) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID115617554
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
SMILESCC(NCc1ccn(C)n1)c1cc2ccccc2s1
InChIInChI=1S/C15H17N3S/c1-11(16-10-13-7-8-18(2)17-13)15-9-12-5-3-4-6-14(12)19-15/h3-9,11,16H,10H2,1-2H3
InChIKeyKSNYQZAADWUTQB-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.49
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
N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine
CID 78921020
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 103851641
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 107167630
1-(1-benzothiophen-2-yl)-N-[(2-ethylphenyl)methyl]ethanamine
CID 114909932
1-(1-benzothiophen-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114909795
1-(1-benzothiophen-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115617548
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78921673
N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
CID 104579324
N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
CID 114983145
5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol
CID 104579334

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine (CID 115617554) is 1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine is CC(NCc1ccn(C)n1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is KSNYQZAADWUTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-11(16-10-13-7-8-18(2)17-13)15-9-12-5-3-4-6-14(12)19-15/h3-9,11,16H,10H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine?
1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 271.39 g/mol, XLogP of 3.49, 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-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115617554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).