5-ethyl-2-methyl-1H-pyrazol-3-one

C6H10N2O — CID 22107635

IUPAC5-ethyl-2-methyl-1H-pyrazol-3-one
SMILESCCc1cc(=O)n(C)[nH]1
InChIInChI=1S/C6H10N2O/c1-3-5-4-6(9)8(2)7-5/h4,7H,3H2,1-2H3
InChIKeyUOKSQBPRMSQGPH-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.28
Rot. Bonds1

About 5-ethyl-2-methyl-1H-pyrazol-3-one

5-ethyl-2-methyl-1H-pyrazol-3-one (PubChem CID 22107635) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-ethyl-2-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-ethyl-2-methyl-1H-pyrazol-3-one
PubChem CID22107635
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-ethyl-2-methyl-1H-pyrazol-3-one
SMILESCCc1cc(=O)n(C)[nH]1
InChIInChI=1S/C6H10N2O/c1-3-5-4-6(9)8(2)7-5/h4,7H,3H2,1-2H3
InChIKeyUOKSQBPRMSQGPH-UHFFFAOYSA-N
XLogP0.28
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-1H-pyrazol-3-one?
The IUPAC name of 5-ethyl-2-methyl-1H-pyrazol-3-one (CID 22107635) is 5-ethyl-2-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-ethyl-2-methyl-1H-pyrazol-3-one?
The canonical SMILES for 5-ethyl-2-methyl-1H-pyrazol-3-one is CCc1cc(=O)n(C)[nH]1.
What is the InChIKey of 5-ethyl-2-methyl-1H-pyrazol-3-one?
The InChIKey is UOKSQBPRMSQGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-5-4-6(9)8(2)7-5/h4,7H,3H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-1H-pyrazol-3-one?
5-ethyl-2-methyl-1H-pyrazol-3-one has a molecular weight of 126.16 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 5-ethyl-2-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 22107635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).