2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine

C14H21N3S — CID 105001763

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCc1cc(CC(N)c2ccc(C)s2)n(CC)n1
InChIInChI=1S/C14H21N3S/c1-4-11-8-12(17(5-2)16-11)9-13(15)14-7-6-10(3)18-14/h6-8,13H,4-5,9,15H2,1-3H3
InChIKeyVZFJIYLGYYTJDT-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.08
Rot. Bonds5

About 2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine

2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 105001763) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID105001763
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCc1cc(CC(N)c2ccc(C)s2)n(CC)n1
InChIInChI=1S/C14H21N3S/c1-4-11-8-12(17(5-2)16-11)9-13(15)14-7-6-10(3)18-14/h6-8,13H,4-5,9,15H2,1-3H3
InChIKeyVZFJIYLGYYTJDT-UHFFFAOYSA-N
XLogP3.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105001762
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105001574
1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001648
2-(1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105001646
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethyl-6-methylpyridazin-4-yl)ethanamine
CID 105161642
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105002857
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
CID 79411779
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105162326
2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105001631
1-(5-chloro-2-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001602
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105001588

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine (CID 105001763) is 2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine is CCc1cc(CC(N)c2ccc(C)s2)n(CC)n1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is VZFJIYLGYYTJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-11-8-12(17(5-2)16-11)9-13(15)14-7-6-10(3)18-14/h6-8,13H,4-5,9,15H2,1-3H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine?
2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 263.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 105001763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).