1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine

C14H20ClN3S — CID 104999276

IUPAC1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
SMILESCCNC(Cc1cc(CC)nn1C)c1sccc1Cl
InChIInChI=1S/C14H20ClN3S/c1-4-10-8-11(18(3)17-10)9-13(16-5-2)14-12(15)6-7-19-14/h6-8,13,16H,4-5,9H2,1-3H3
InChIKeyZNHRURLLPYJFMR-UHFFFAOYSA-N
MW297.85 g/mol
LogP3.59
Rot. Bonds6

About 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine

1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine (PubChem CID 104999276) has the molecular formula C14H20ClN3S and a molecular weight of 297.85 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
PubChem CID104999276
Molecular FormulaC14H20ClN3S
Molecular Weight297.85 g/mol
Exact Mass297.11
IUPAC Name1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
SMILESCCNC(Cc1cc(CC)nn1C)c1sccc1Cl
InChIInChI=1S/C14H20ClN3S/c1-4-10-8-11(18(3)17-10)9-13(16-5-2)14-12(15)6-7-19-14/h6-8,13,16H,4-5,9H2,1-3H3
InChIKeyZNHRURLLPYJFMR-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160161
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999243
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064046
1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999176
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105160183
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105160090
N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755498
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
1-(4-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 114906672
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822839
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 107953245
1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811557

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine (CID 104999276) is 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine is CCNC(Cc1cc(CC)nn1C)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The InChIKey is ZNHRURLLPYJFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3S/c1-4-10-8-11(18(3)17-10)9-13(16-5-2)14-12(15)6-7-19-14/h6-8,13,16H,4-5,9H2,1-3H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine has a molecular weight of 297.85 g/mol, XLogP of 3.59, 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-(3-ethyl-1-methylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 104999276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).