1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine

C11H14ClN3S — CID 103905092

IUPAC1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccc(Cl)s1)c1cn[nH]c1
InChIInChI=1S/C11H14ClN3S/c1-7(9-5-13-14-6-9)15-8(2)10-3-4-11(12)16-10/h3-8,15H,1-2H3,(H,13,14)
InChIKeySEMOXJLEKJUKSC-UHFFFAOYSA-N
MW255.77 g/mol
LogP3.54
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine (PubChem CID 103905092) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
PubChem CID103905092
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
SMILESCC(NC(C)c1ccc(Cl)s1)c1cn[nH]c1
InChIInChI=1S/C11H14ClN3S/c1-7(9-5-13-14-6-9)15-8(2)10-3-4-11(12)16-10/h3-8,15H,1-2H3,(H,13,14)
InChIKeySEMOXJLEKJUKSC-UHFFFAOYSA-N
XLogP3.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43382000
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43692555
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43674153
1-(3,4-dichlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905228
(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81375983
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine
CID 115708442
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine
CID 43438937
1-(4-bromo-2-chlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 114158485
1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751905
1-(5-chlorothiophen-2-yl)-N-[1-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 115878972
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43439053

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine (CID 103905092) is 1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine is CC(NC(C)c1ccc(Cl)s1)c1cn[nH]c1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The InChIKey is SEMOXJLEKJUKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-7(9-5-13-14-6-9)15-8(2)10-3-4-11(12)16-10/h3-8,15H,1-2H3,(H,13,14).
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine has a molecular weight of 255.77 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 103905092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).