2-ethenyl-1H-pyrazol-3-one

C5H6N2O — CID 18668438

IUPAC2-ethenyl-1H-pyrazol-3-one
SMILESC=Cn1[nH]ccc1=O
InChIInChI=1S/C5H6N2O/c1-2-7-5(8)3-4-6-7/h2-4,6H,1H2
InChIKeyWLEAGSPJRSVAKN-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.28
Rot. Bonds1

About 2-ethenyl-1H-pyrazol-3-one

2-ethenyl-1H-pyrazol-3-one (PubChem CID 18668438) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 2-ethenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-ethenyl-1H-pyrazol-3-one
PubChem CID18668438
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name2-ethenyl-1H-pyrazol-3-one
SMILESC=Cn1[nH]ccc1=O
InChIInChI=1S/C5H6N2O/c1-2-7-5(8)3-4-6-7/h2-4,6H,1H2
InChIKeyWLEAGSPJRSVAKN-UHFFFAOYSA-N
XLogP0.28
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1H-pyrazol-3-one?
The IUPAC name of 2-ethenyl-1H-pyrazol-3-one (CID 18668438) is 2-ethenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-ethenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-ethenyl-1H-pyrazol-3-one is C=Cn1[nH]ccc1=O.
What is the InChIKey of 2-ethenyl-1H-pyrazol-3-one?
The InChIKey is WLEAGSPJRSVAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-2-7-5(8)3-4-6-7/h2-4,6H,1H2.
What are the key properties of 2-ethenyl-1H-pyrazol-3-one?
2-ethenyl-1H-pyrazol-3-one has a molecular weight of 110.12 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1H-pyrazol-3-one is sourced from PubChem (CID 18668438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).