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

C15H23N3S — CID 105001574

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1cc(CC(N)c2sccc2CC)n(CC)n1
InChIInChI=1S/C15H23N3S/c1-4-11-7-8-19-15(11)14(16)10-13-9-12(5-2)17-18(13)6-3/h7-9,14H,4-6,10,16H2,1-3H3
InChIKeyDLDSHIDLZGEKKL-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.33
Rot. Bonds6

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

2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine (PubChem CID 105001574) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine
PubChem CID105001574
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine
SMILESCCc1cc(CC(N)c2sccc2CC)n(CC)n1
InChIInChI=1S/C15H23N3S/c1-4-11-7-8-19-15(11)14(16)10-13-9-12(5-2)17-18(13)6-3/h7-9,14H,4-6,10,16H2,1-3H3
InChIKeyDLDSHIDLZGEKKL-UHFFFAOYSA-N
XLogP3.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002800
2-(1-ethylindazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104999362
2-(1,3-diethylpyrazol-5-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105001763
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 104989680
1-(3-ethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104996976
1-(3-ethylthiophen-2-yl)-2-pyridin-2-ylethanamine
CID 79975756
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
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-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 105019639
1-(3-ethylthiophen-2-yl)hexan-1-amine
CID 115837119
1-(1,3-diethylpyrazol-5-yl)hexan-2-amine
CID 79411779

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine (CID 105001574) is 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine is CCc1cc(CC(N)c2sccc2CC)n(CC)n1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
The InChIKey is DLDSHIDLZGEKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-4-11-7-8-19-15(11)14(16)10-13-9-12(5-2)17-18(13)6-3/h7-9,14H,4-6,10,16H2,1-3H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine?
2-(1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanamine has a molecular weight of 277.44 g/mol, XLogP of 3.33, 6 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-(3-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 105001574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).