1-(2-ethylpyrazol-3-yl)ethenamine

C7H11N3 — CID 178160278

IUPAC1-(2-ethylpyrazol-3-yl)ethenamine
SMILESC=C(N)c1ccnn1CC
InChIInChI=1S/C7H11N3/c1-3-10-7(6(2)8)4-5-9-10/h4-5H,2-3,8H2,1H3
InChIKeyOVJZDLGIQVBUKJ-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.83
Rot. Bonds2

About 1-(2-ethylpyrazol-3-yl)ethenamine

1-(2-ethylpyrazol-3-yl)ethenamine (PubChem CID 178160278) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)ethenamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)ethenamine
PubChem CID178160278
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-(2-ethylpyrazol-3-yl)ethenamine
SMILESC=C(N)c1ccnn1CC
InChIInChI=1S/C7H11N3/c1-3-10-7(6(2)8)4-5-9-10/h4-5H,2-3,8H2,1H3
InChIKeyOVJZDLGIQVBUKJ-UHFFFAOYSA-N
XLogP0.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)ethenamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)ethenamine (CID 178160278) is 1-(2-ethylpyrazol-3-yl)ethenamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)ethenamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)ethenamine is C=C(N)c1ccnn1CC.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)ethenamine?
The InChIKey is OVJZDLGIQVBUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-3-10-7(6(2)8)4-5-9-10/h4-5H,2-3,8H2,1H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)ethenamine?
1-(2-ethylpyrazol-3-yl)ethenamine has a molecular weight of 137.19 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)ethenamine is sourced from PubChem (CID 178160278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).