5-(methoxymethyl)-1,2-dihydropyrazol-3-one

C5H8N2O2 — CID 819709

IUPAC5-(methoxymethyl)-1,2-dihydropyrazol-3-one
SMILESCOCc1cc(=O)[nH][nH]1
InChIInChI=1S/C5H8N2O2/c1-9-3-4-2-5(8)7-6-4/h2H,3H2,1H3,(H2,6,7,8)
InChIKeyCJIPHLPKQMKKIT-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.15
Rot. Bonds2

About 5-(methoxymethyl)-1,2-dihydropyrazol-3-one

5-(methoxymethyl)-1,2-dihydropyrazol-3-one (PubChem CID 819709) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 5-(methoxymethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(methoxymethyl)-1,2-dihydropyrazol-3-one
PubChem CID819709
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name5-(methoxymethyl)-1,2-dihydropyrazol-3-one
SMILESCOCc1cc(=O)[nH][nH]1
InChIInChI=1S/C5H8N2O2/c1-9-3-4-2-5(8)7-6-4/h2H,3H2,1H3,(H2,6,7,8)
InChIKeyCJIPHLPKQMKKIT-UHFFFAOYSA-N
XLogP-0.15
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(methoxymethyl)-1,2-dihydropyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(methoxymethyl)-1,2-dihydropyrazol-3-one (CID 819709) is 5-(methoxymethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(methoxymethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(methoxymethyl)-1,2-dihydropyrazol-3-one is COCc1cc(=O)[nH][nH]1.
What is the InChIKey of 5-(methoxymethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is CJIPHLPKQMKKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-9-3-4-2-5(8)7-6-4/h2H,3H2,1H3,(H2,6,7,8).
What are the key properties of 5-(methoxymethyl)-1,2-dihydropyrazol-3-one?
5-(methoxymethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 128.13 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 819709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).