N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine

C16H19N3S — CID 105172840

IUPACN-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1C)c1cccc2ccsc12
InChIInChI=1S/C16H19N3S/c1-4-17-15(14-10-18-19(3)11(14)2)13-7-5-6-12-8-9-20-16(12)13/h5-10,15,17H,4H2,1-3H3
InChIKeyWXFNMYKNCWZSBU-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.64
Rot. Bonds4

About N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine

N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 105172840) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID105172840
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1C)c1cccc2ccsc12
InChIInChI=1S/C16H19N3S/c1-4-17-15(14-10-18-19(3)11(14)2)13-7-5-6-12-8-9-20-16(12)13/h5-10,15,17H,4H2,1-3H3
InChIKeyWXFNMYKNCWZSBU-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81153707
N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103136936
N-[1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105172877
N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine
CID 105172732
N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine
CID 81153684
N-[1-benzothiophen-7-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105021991
N-[1-benzothiophen-7-yl-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 105022095
N-[2,3-dihydro-1-benzofuran-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105189441
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105172867
N-[1-benzothiophen-7-yl-(2-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105172803
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 105142484
1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136902

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine (CID 105172840) is N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(C)c1C)c1cccc2ccsc12.
What is the InChIKey of N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is WXFNMYKNCWZSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-4-17-15(14-10-18-19(3)11(14)2)13-7-5-6-12-8-9-20-16(12)13/h5-10,15,17H,4H2,1-3H3.
What are the key properties of N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine?
N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 285.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-7-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 105172840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).