1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine

C13H18ClN3S — CID 43751905

IUPAC1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
SMILESCc1c(C(C)NC(C)c2ccc(Cl)s2)cnn1C
InChIInChI=1S/C13H18ClN3S/c1-8(11-7-15-17(4)10(11)3)16-9(2)12-5-6-13(14)18-12/h5-9,16H,1-4H3
InChIKeyHMWUCFRSHHLQPD-UHFFFAOYSA-N
MW283.83 g/mol
LogP3.86
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine (PubChem CID 43751905) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
PubChem CID43751905
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
SMILESCc1c(C(C)NC(C)c2ccc(Cl)s2)cnn1C
InChIInChI=1S/C13H18ClN3S/c1-8(11-7-15-17(4)10(11)3)16-9(2)12-5-6-13(14)18-12/h5-9,16H,1-4H3
InChIKeyHMWUCFRSHHLQPD-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 43751923
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43751841
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine
CID 43751933
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62090519
1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751951
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
(1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 81377961
1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 43751968
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43692550
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43752001
1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 103924707

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine (CID 43751905) is 1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine is Cc1c(C(C)NC(C)c2ccc(Cl)s2)cnn1C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
The InChIKey is HMWUCFRSHHLQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S/c1-8(11-7-15-17(4)10(11)3)16-9(2)12-5-6-13(14)18-12/h5-9,16H,1-4H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine has a molecular weight of 283.83 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 43751905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).