1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine

C15H17N3S — CID 115822474

IUPAC1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(CC(N)c2cc3ccccc3s2)cn1
InChIInChI=1S/C15H17N3S/c1-2-18-10-11(9-17-18)7-13(16)15-8-12-5-3-4-6-14(12)19-15/h3-6,8-10,13H,2,7,16H2,1H3
InChIKeySEKPYSGHXIMVCX-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.36
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine

1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine (PubChem CID 115822474) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
PubChem CID115822474
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(CC(N)c2cc3ccccc3s2)cn1
InChIInChI=1S/C15H17N3S/c1-2-18-10-11(9-17-18)7-13(16)15-8-12-5-3-4-6-14(12)19-15/h3-6,8-10,13H,2,7,16H2,1H3
InChIKeySEKPYSGHXIMVCX-UHFFFAOYSA-N
XLogP3.36
TPSA43.84 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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030201
1-(1-benzothiophen-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002034
1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844225
1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447688
1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine
CID 105036767
1-(2,6-dimethyl-4-pyridinyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107503308
2-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylethanamine
CID 62126098
2-(1-ethylpyrazol-4-yl)-1-(furan-2-yl)ethanamine
CID 62716130
2-(1-ethylpyrazol-4-yl)-1-(3-iodophenyl)ethanamine
CID 115822187
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043364
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
CID 62126251
1-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030509

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine (CID 115822474) is 1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine is CCn1cc(CC(N)c2cc3ccccc3s2)cn1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The InChIKey is SEKPYSGHXIMVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-2-18-10-11(9-17-18)7-13(16)15-8-12-5-3-4-6-14(12)19-15/h3-6,8-10,13H,2,7,16H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine?
1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine has a molecular weight of 271.39 g/mol, XLogP of 3.36, 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)-2-(1-ethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115822474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).