pyrazol-3-one

C3H2N2O — CID 11513733

IUPACpyrazol-3-one
SMILESO=C1C=CN=N1
InChIInChI=1S/C3H2N2O/c6-3-1-2-4-5-3/h1-2H
InChIKeyJEXVQSWXXUJEMA-UHFFFAOYSA-N
MW82.06 g/mol
LogP0.49
Rot. Bonds

About pyrazol-3-one

pyrazol-3-one (PubChem CID 11513733) has the molecular formula C3H2N2O and a molecular weight of 82.06 g/mol. Its IUPAC name is pyrazol-3-one.

Molecular Properties

Compound Namepyrazol-3-one
PubChem CID11513733
Molecular FormulaC3H2N2O
Molecular Weight82.06 g/mol
Exact Mass82.02
IUPAC Namepyrazol-3-one
SMILESO=C1C=CN=N1
InChIInChI=1S/C3H2N2O/c6-3-1-2-4-5-3/h1-2H
InChIKeyJEXVQSWXXUJEMA-UHFFFAOYSA-N
XLogP0.49
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.06
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrazol-3-one?
The IUPAC name of pyrazol-3-one (CID 11513733) is pyrazol-3-one.
What is the SMILES notation for pyrazol-3-one?
The canonical SMILES for pyrazol-3-one is O=C1C=CN=N1.
What is the InChIKey of pyrazol-3-one?
The InChIKey is JEXVQSWXXUJEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2O/c6-3-1-2-4-5-3/h1-2H.
What are the key properties of pyrazol-3-one?
pyrazol-3-one has a molecular weight of 82.06 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-3-one is sourced from PubChem (CID 11513733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).