1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine

C13H18ClN3S — CID 115822839

IUPAC1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1sccc1Cl
InChIInChI=1S/C13H18ClN3S/c1-3-15-12(13-11(14)5-6-18-13)7-10-8-16-17(4-2)9-10/h5-6,8-9,12,15H,3-4,7H2,1-2H3
InChIKeyMQFSAOHSUDWNHM-UHFFFAOYSA-N
MW283.83 g/mol
LogP3.51
Rot. Bonds6

About 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine

1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine (PubChem CID 115822839) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
PubChem CID115822839
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC Name1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cnn(CC)c1)c1sccc1Cl
InChIInChI=1S/C13H18ClN3S/c1-3-15-12(13-11(14)5-6-18-13)7-10-8-16-17(4-2)9-10/h5-6,8-9,12,15H,3-4,7H2,1-2H3
InChIKeyMQFSAOHSUDWNHM-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 64714718
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105114758
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064046
1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822270
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
2-(1-ethylpyrazol-4-yl)-N-methyl-1-thiophen-2-ylethanamine
CID 62127681
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2-methyl-3-pyridinyl)ethanamine
CID 105114831
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115822095
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840835
1-(2,4-dibromophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107945297
N-[2-(1-ethylpyrazol-4-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62126619

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine (CID 115822839) is 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine is CCNC(Cc1cnn(CC)c1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
The InChIKey is MQFSAOHSUDWNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S/c1-3-15-12(13-11(14)5-6-18-13)7-10-8-16-17(4-2)9-10/h5-6,8-9,12,15H,3-4,7H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine?
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine has a molecular weight of 283.83 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115822839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).