1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone

C8H11N3O — CID 84764922

IUPAC1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone
SMILESC=Cn1nccc1C(=O)CNC
InChIInChI=1S/C8H11N3O/c1-3-11-7(4-5-10-11)8(12)6-9-2/h3-5,9H,1,6H2,2H3
InChIKeyPHZBWDFUXRLJAV-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.39
Rot. Bonds4

About 1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone

1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone (PubChem CID 84764922) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone
PubChem CID84764922
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone
SMILESC=Cn1nccc1C(=O)CNC
InChIInChI=1S/C8H11N3O/c1-3-11-7(4-5-10-11)8(12)6-9-2/h3-5,9H,1,6H2,2H3
InChIKeyPHZBWDFUXRLJAV-UHFFFAOYSA-N
XLogP0.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone (CID 84764922) is 1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone is C=Cn1nccc1C(=O)CNC.
What is the InChIKey of 1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone?
The InChIKey is PHZBWDFUXRLJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-3-11-7(4-5-10-11)8(12)6-9-2/h3-5,9H,1,6H2,2H3.
What are the key properties of 1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone?
1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone has a molecular weight of 165.20 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylpyrazol-3-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 84764922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).