1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine

C14H21N3S — CID 104629100

IUPAC1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCCc1ccc(C(C)NCCc2ccn(C)n2)s1
InChIInChI=1S/C14H21N3S/c1-4-13-5-6-14(18-13)11(2)15-9-7-12-8-10-17(3)16-12/h5-6,8,10-11,15H,4,7,9H2,1-3H3
InChIKeyZABNZMPOUJTBLQ-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.94
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine

1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine (PubChem CID 104629100) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
PubChem CID104629100
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCCc1ccc(C(C)NCCc2ccn(C)n2)s1
InChIInChI=1S/C14H21N3S/c1-4-13-5-6-14(18-13)11(2)15-9-7-12-8-10-17(3)16-12/h5-6,8,10-11,15H,4,7,9H2,1-3H3
InChIKeyZABNZMPOUJTBLQ-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-ethylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329455
1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629058
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(5-ethylthiophen-2-yl)ethanamine
CID 112668597
1-(5-ethylthiophen-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 115713770
1-cyclopentyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629165
N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine
CID 55198066
1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629143
1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 113434466
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 106104199
3-[1-(5-ethylthiophen-2-yl)ethylamino]propanamide
CID 61333187
N-[1-(5-ethylthiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327120
N-[2-[1-(5-ethylthiophen-2-yl)ethylamino]ethyl]acetamide
CID 61333178

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine (CID 104629100) is 1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine is CCc1ccc(C(C)NCCc2ccn(C)n2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
The InChIKey is ZABNZMPOUJTBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-13-5-6-14(18-13)11(2)15-9-7-12-8-10-17(3)16-12/h5-6,8,10-11,15H,4,7,9H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine?
1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine has a molecular weight of 263.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 104629100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).