1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

C13H19N3S — CID 19626654

IUPAC1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCn1nccc1C(C)NCc1sccc1C
InChIInChI=1S/C13H19N3S/c1-4-16-12(5-7-15-16)11(3)14-9-13-10(2)6-8-17-13/h5-8,11,14H,4,9H2,1-3H3
InChIKeyPZXPBRVEMZYSHV-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.12
Rot. Bonds5

About 1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine

1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 19626654) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID19626654
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCn1nccc1C(C)NCc1sccc1C
InChIInChI=1S/C13H19N3S/c1-4-16-12(5-7-15-16)11(3)14-9-13-10(2)6-8-17-13/h5-8,11,14H,4,9H2,1-3H3
InChIKeyPZXPBRVEMZYSHV-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine (CID 19626654) is 1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is CCn1nccc1C(C)NCc1sccc1C.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is PZXPBRVEMZYSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-4-16-12(5-7-15-16)11(3)14-9-13-10(2)6-8-17-13/h5-8,11,14H,4,9H2,1-3H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine?
1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 249.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 19626654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).