2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one

C7H12N2O2 — CID 66021908

IUPAC2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one
SMILESCCn1[nH]c(COC)cc1=O
InChIInChI=1S/C7H12N2O2/c1-3-9-7(10)4-6(8-9)5-11-2/h4,8H,3,5H2,1-2H3
InChIKeyHELLIDLZMOWNTA-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.34
Rot. Bonds3

About 2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one

2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one (PubChem CID 66021908) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one
PubChem CID66021908
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one
SMILESCCn1[nH]c(COC)cc1=O
InChIInChI=1S/C7H12N2O2/c1-3-9-7(10)4-6(8-9)5-11-2/h4,8H,3,5H2,1-2H3
InChIKeyHELLIDLZMOWNTA-UHFFFAOYSA-N
XLogP0.34
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one?
The IUPAC name of 2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one (CID 66021908) is 2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one is CCn1[nH]c(COC)cc1=O.
What is the InChIKey of 2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one?
The InChIKey is HELLIDLZMOWNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-9-7(10)4-6(8-9)5-11-2/h4,8H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one?
2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one has a molecular weight of 156.19 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66021908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).