1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C13H19N3S — CID 103029878

IUPAC1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCc1ccc(C(N)CCc2cnn(C)c2)s1
InChIInChI=1S/C13H19N3S/c1-3-11-5-7-13(17-11)12(14)6-4-10-8-15-16(2)9-10/h5,7-9,12H,3-4,6,14H2,1-2H3
InChIKeyGLEIEEOYJFQSTK-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.68
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103029878) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103029878
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCc1ccc(C(N)CCc2cnn(C)c2)s1
InChIInChI=1S/C13H19N3S/c1-3-11-5-7-13(17-11)12(14)6-4-10-8-15-16(2)9-10/h5,7-9,12H,3-4,6,14H2,1-2H3
InChIKeyGLEIEEOYJFQSTK-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-5-yl)propan-1-amine
CID 103011577
1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030201
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821661
3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030188
3-(1-methylpyrazol-4-yl)-1-(4-methylthiadiazol-5-yl)propan-1-amine
CID 103029778
1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821386
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861110
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
3-(1-methylpyrazol-4-yl)-1-(thiadiazol-4-yl)propan-1-amine
CID 103030073
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
CID 103002910
1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030043

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103029878) is 1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is CCc1ccc(C(N)CCc2cnn(C)c2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is GLEIEEOYJFQSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-3-11-5-7-13(17-11)12(14)6-4-10-8-15-16(2)9-10/h5,7-9,12H,3-4,6,14H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 2.68, 5 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)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103029878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).