3-(methoxymethyl)-1,4-dihydropyrazol-5-one

C5H8N2O2 — CID 5119603

IUPAC3-(methoxymethyl)-1,4-dihydropyrazol-5-one
SMILESCOCC1=NNC(=O)C1
InChIInChI=1S/C5H8N2O2/c1-9-3-4-2-5(8)7-6-4/h2-3H2,1H3,(H,7,8)
InChIKeyAKVFWXLMAORXGT-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.49
Rot. Bonds2

About 3-(methoxymethyl)-1,4-dihydropyrazol-5-one

3-(methoxymethyl)-1,4-dihydropyrazol-5-one (PubChem CID 5119603) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-(methoxymethyl)-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-(methoxymethyl)-1,4-dihydropyrazol-5-one
PubChem CID5119603
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name3-(methoxymethyl)-1,4-dihydropyrazol-5-one
SMILESCOCC1=NNC(=O)C1
InChIInChI=1S/C5H8N2O2/c1-9-3-4-2-5(8)7-6-4/h2-3H2,1H3,(H,7,8)
InChIKeyAKVFWXLMAORXGT-UHFFFAOYSA-N
XLogP-0.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-(methoxymethyl)-1,4-dihydropyrazol-5-one (CID 5119603) is 3-(methoxymethyl)-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-(methoxymethyl)-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-(methoxymethyl)-1,4-dihydropyrazol-5-one is COCC1=NNC(=O)C1.
What is the InChIKey of 3-(methoxymethyl)-1,4-dihydropyrazol-5-one?
The InChIKey is AKVFWXLMAORXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-9-3-4-2-5(8)7-6-4/h2-3H2,1H3,(H,7,8).
What are the key properties of 3-(methoxymethyl)-1,4-dihydropyrazol-5-one?
3-(methoxymethyl)-1,4-dihydropyrazol-5-one has a molecular weight of 128.13 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 5119603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).