1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine

C17H21N3S — CID 104999166

IUPAC1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1cc(CC(NC)c2csc3ccccc23)n(C)n1
InChIInChI=1S/C17H21N3S/c1-4-12-9-13(20(3)19-12)10-16(18-2)15-11-21-17-8-6-5-7-14(15)17/h5-9,11,16,18H,4,10H2,1-3H3
InChIKeyNFVSBBDNPVDZBF-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.70
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine

1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine (PubChem CID 104999166) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
PubChem CID104999166
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
SMILESCCc1cc(CC(NC)c2csc3ccccc23)n(C)n1
InChIInChI=1S/C17H21N3S/c1-4-12-9-13(20(3)19-12)10-16(18-2)15-11-21-17-8-6-5-7-14(15)17/h5-9,11,16,18H,4,10H2,1-3H3
InChIKeyNFVSBBDNPVDZBF-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789926
1-(2,4-dibromophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107946163
1-(1-benzothiophen-3-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 115800455
1-(1-benzothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447520
1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999140
1-(1-benzothiophen-3-yl)-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019355
1-(1-benzothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830435
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-ethylphenyl)ethyl]hydrazine
CID 105317187
1-(1-benzothiophen-3-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 63507542
1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049957
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
CID 105317110
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105160085

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine (CID 104999166) is 1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine is CCc1cc(CC(NC)c2csc3ccccc23)n(C)n1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
The InChIKey is NFVSBBDNPVDZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-4-12-9-13(20(3)19-12)10-16(18-2)15-11-21-17-8-6-5-7-14(15)17/h5-9,11,16,18H,4,10H2,1-3H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine?
1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine has a molecular weight of 299.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 104999166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).