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

C14H21N3S — CID 43751923

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NC(C)c2cnn(C)c2C)s1
InChIInChI=1S/C14H21N3S/c1-9-6-7-14(18-9)11(3)16-10(2)13-8-15-17(5)12(13)4/h6-8,10-11,16H,1-5H3
InChIKeyQLHQUIXIKPLIMS-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.51
Rot. Bonds4

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

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 43751923) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID43751923
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NC(C)c2cnn(C)c2C)s1
InChIInChI=1S/C14H21N3S/c1-9-6-7-14(18-9)11(3)16-10(2)13-8-15-17(5)12(13)4/h6-8,10-11,16H,1-5H3
InChIKeyQLHQUIXIKPLIMS-UHFFFAOYSA-N
XLogP3.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751905
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
1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 43751968
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
N-(dicyclopropylmethyl)-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 43751954
N-[1-(2,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 43674222
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine
CID 43751945

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine (CID 43751923) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(C)NC(C)c2cnn(C)c2C)s1.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is QLHQUIXIKPLIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-9-6-7-14(18-9)11(3)16-10(2)13-8-15-17(5)12(13)4/h6-8,10-11,16H,1-5H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 263.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 43751923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).