5-ethenyl-1,2-dihydropyrazol-3-one

C5H6N2O — CID 54506834

IUPAC5-ethenyl-1,2-dihydropyrazol-3-one
SMILESC=Cc1cc(=O)[nH][nH]1
InChIInChI=1S/C5H6N2O/c1-2-4-3-5(8)7-6-4/h2-3H,1H2,(H2,6,7,8)
InChIKeyYGIAGQVZKYAVCD-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.35
Rot. Bonds1

About 5-ethenyl-1,2-dihydropyrazol-3-one

5-ethenyl-1,2-dihydropyrazol-3-one (PubChem CID 54506834) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 5-ethenyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-ethenyl-1,2-dihydropyrazol-3-one
PubChem CID54506834
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name5-ethenyl-1,2-dihydropyrazol-3-one
SMILESC=Cc1cc(=O)[nH][nH]1
InChIInChI=1S/C5H6N2O/c1-2-4-3-5(8)7-6-4/h2-3H,1H2,(H2,6,7,8)
InChIKeyYGIAGQVZKYAVCD-UHFFFAOYSA-N
XLogP0.35
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-ethenyl-1,2-dihydropyrazol-3-one (CID 54506834) is 5-ethenyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-ethenyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-ethenyl-1,2-dihydropyrazol-3-one is C=Cc1cc(=O)[nH][nH]1.
What is the InChIKey of 5-ethenyl-1,2-dihydropyrazol-3-one?
The InChIKey is YGIAGQVZKYAVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-2-4-3-5(8)7-6-4/h2-3H,1H2,(H2,6,7,8).
What are the key properties of 5-ethenyl-1,2-dihydropyrazol-3-one?
5-ethenyl-1,2-dihydropyrazol-3-one has a molecular weight of 110.12 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 54506834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).