3-ethyl-4-methyl-1,4-dihydropyrazol-5-one

C6H10N2O — CID 13040304

IUPAC3-ethyl-4-methyl-1,4-dihydropyrazol-5-one
SMILESCCC1=NNC(=O)C1C
InChIInChI=1S/C6H10N2O/c1-3-5-4(2)6(9)8-7-5/h4H,3H2,1-2H3,(H,8,9)
InChIKeyUJINFXQKZOMYEY-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.52
Rot. Bonds1

About 3-ethyl-4-methyl-1,4-dihydropyrazol-5-one

3-ethyl-4-methyl-1,4-dihydropyrazol-5-one (PubChem CID 13040304) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-ethyl-4-methyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-ethyl-4-methyl-1,4-dihydropyrazol-5-one
PubChem CID13040304
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-ethyl-4-methyl-1,4-dihydropyrazol-5-one
SMILESCCC1=NNC(=O)C1C
InChIInChI=1S/C6H10N2O/c1-3-5-4(2)6(9)8-7-5/h4H,3H2,1-2H3,(H,8,9)
InChIKeyUJINFXQKZOMYEY-UHFFFAOYSA-N
XLogP0.52
TPSA41.46 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 ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-ethyl-4-methyl-1,4-dihydropyrazol-5-one (CID 13040304) is 3-ethyl-4-methyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-ethyl-4-methyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-ethyl-4-methyl-1,4-dihydropyrazol-5-one is CCC1=NNC(=O)C1C.
What is the InChIKey of 3-ethyl-4-methyl-1,4-dihydropyrazol-5-one?
The InChIKey is UJINFXQKZOMYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-5-4(2)6(9)8-7-5/h4H,3H2,1-2H3,(H,8,9).
What are the key properties of 3-ethyl-4-methyl-1,4-dihydropyrazol-5-one?
3-ethyl-4-methyl-1,4-dihydropyrazol-5-one has a molecular weight of 126.16 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 13040304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).