1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine

C15H19N3S — CID 105108762

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1cc(C(NC)C2CSc3ccccc32)cn1
InChIInChI=1S/C15H19N3S/c1-3-18-9-11(8-17-18)15(16-2)13-10-19-14-7-5-4-6-12(13)14/h4-9,13,15-16H,3,10H2,1-2H3
InChIKeyIXURFVZPOLCVQJ-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.05
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine

1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 105108762) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
PubChem CID105108762
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
SMILESCCn1cc(C(NC)C2CSc3ccccc32)cn1
InChIInChI=1S/C15H19N3S/c1-3-18-9-11(8-17-18)15(16-2)13-10-19-14-7-5-4-6-12(13)14/h4-9,13,15-16H,3,10H2,1-2H3
InChIKeyIXURFVZPOLCVQJ-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 105121368
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105175436
N-[2,3-dihydro-1,4-benzoxathiin-2-yl-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 106601719
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzothiophen-3-yl)methyl]ethanamine
CID 105182896
N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine
CID 105083790
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105142911
[2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine
CID 114213664
1-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65423611
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 64984223
N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105096909
N-[2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methyl]ethanamine
CID 105146656
1-(1,4-dimethylpiperazin-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 79658848

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine (CID 105108762) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine is CCn1cc(C(NC)C2CSc3ccccc32)cn1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is IXURFVZPOLCVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-18-9-11(8-17-18)15(16-2)13-10-19-14-7-5-4-6-12(13)14/h4-9,13,15-16H,3,10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine?
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 273.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 105108762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).