2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine

C15H17N3S — CID 105116784

IUPAC2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2csc3ccccc23)n(C)n1
InChIInChI=1S/C15H17N3S/c1-10-7-14(18(2)17-10)13(16)8-11-9-19-15-6-4-3-5-12(11)15/h3-7,9,13H,8,16H2,1-2H3
InChIKeyHMFDAWOWRUSHOA-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.19
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine

2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine (PubChem CID 105116784) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine
PubChem CID105116784
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2csc3ccccc23)n(C)n1
InChIInChI=1S/C15H17N3S/c1-10-7-14(18(2)17-10)13(16)8-11-9-19-15-6-4-3-5-12(11)15/h3-7,9,13H,8,16H2,1-2H3
InChIKeyHMFDAWOWRUSHOA-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-2-quinolin-4-ylethanamine
CID 105159324
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
1-(2,5-dimethylpyrazol-3-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105164424
2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115823714
2-(1-benzothiophen-3-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789815
3-(1-benzothiophen-3-yl)-2-[(1,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 167874244
1-(1-benzothiophen-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 63737757
2-(1-benzothiophen-3-yl)-1-(3,4,5-trifluorophenyl)ethanamine
CID 63736733
3-(2-methyl-3-phenylpropyl)-1-benzothiophene
CID 4715035
3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine
CID 65429469
2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 63738834
1-(1-benzofuran-2-yl)-2-(1-benzothiophen-3-yl)ethanamine
CID 63738304

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine (CID 105116784) is 2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine is Cc1cc(C(N)Cc2csc3ccccc23)n(C)n1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine?
The InChIKey is HMFDAWOWRUSHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-10-7-14(18(2)17-10)13(16)8-11-9-19-15-6-4-3-5-12(11)15/h3-7,9,13H,8,16H2,1-2H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine?
2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine has a molecular weight of 271.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105116784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).