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

C6H10N2O — CID 3098809

IUPAC4-ethyl-3-methyl-1,4-dihydropyrazol-5-one
SMILESCCC1C(=O)NN=C1C
InChIInChI=1S/C6H10N2O/c1-3-5-4(2)7-8-6(5)9/h5H,3H2,1-2H3,(H,8,9)
InChIKeyUXHVLIUKMCNXNV-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.52
Rot. Bonds1

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

4-ethyl-3-methyl-1,4-dihydropyrazol-5-one (PubChem CID 3098809) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-ethyl-3-methyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-methyl-1,4-dihydropyrazol-5-one
PubChem CID3098809
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name4-ethyl-3-methyl-1,4-dihydropyrazol-5-one
SMILESCCC1C(=O)NN=C1C
InChIInChI=1S/C6H10N2O/c1-3-5-4(2)7-8-6(5)9/h5H,3H2,1-2H3,(H,8,9)
InChIKeyUXHVLIUKMCNXNV-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 4-ethyl-3-methyl-1,4-dihydropyrazol-5-one?
The IUPAC name of 4-ethyl-3-methyl-1,4-dihydropyrazol-5-one (CID 3098809) is 4-ethyl-3-methyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 4-ethyl-3-methyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 4-ethyl-3-methyl-1,4-dihydropyrazol-5-one is CCC1C(=O)NN=C1C.
What is the InChIKey of 4-ethyl-3-methyl-1,4-dihydropyrazol-5-one?
The InChIKey is UXHVLIUKMCNXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-5-4(2)7-8-6(5)9/h5H,3H2,1-2H3,(H,8,9).
What are the key properties of 4-ethyl-3-methyl-1,4-dihydropyrazol-5-one?
4-ethyl-3-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 4-ethyl-3-methyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 3098809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).