N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C13H19N3S — CID 105137555

IUPACN-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1ccsc1)c1c(C)nn(C)c1C
InChIInChI=1S/C13H19N3S/c1-9-13(10(2)16(4)15-9)12(14-3)7-11-5-6-17-8-11/h5-6,8,12,14H,7H2,1-4H3
InChIKeyQEPMXQWTSWULTF-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.60
Rot. Bonds4

About N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105137555) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105137555
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1ccsc1)c1c(C)nn(C)c1C
InChIInChI=1S/C13H19N3S/c1-9-13(10(2)16(4)15-9)12(14-3)7-11-5-6-17-8-11/h5-6,8,12,14H,7H2,1-4H3
InChIKeyQEPMXQWTSWULTF-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105137535
N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105147845
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107891786
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105160975
2-(2,3-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107311906
3-(methylamino)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 64812406
[2-(4-ethylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105287881
N-methyl-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 62603185
1-(3,4-dichlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078368
1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 105148244
N-ethyl-2-(4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105086774
2-(4-bromophenyl)-N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105088920

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105137555) is N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CNC(Cc1ccsc1)c1c(C)nn(C)c1C.
What is the InChIKey of N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is QEPMXQWTSWULTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9-13(10(2)16(4)15-9)12(14-3)7-11-5-6-17-8-11/h5-6,8,12,14H,7H2,1-4H3.
What are the key properties of N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 249.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105137555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).