2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one

C7H12N2O3 — CID 60653006

IUPAC2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one
SMILESCOCC1=NN(CCO)C(=O)C1
InChIInChI=1S/C7H12N2O3/c1-12-5-6-4-7(11)9(8-6)2-3-10/h10H,2-5H2,1H3
InChIKeyGFWKZTFGLVUHND-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.79
Rot. Bonds4

About 2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one

2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one (PubChem CID 60653006) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one
PubChem CID60653006
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one
SMILESCOCC1=NN(CCO)C(=O)C1
InChIInChI=1S/C7H12N2O3/c1-12-5-6-4-7(11)9(8-6)2-3-10/h10H,2-5H2,1H3
InChIKeyGFWKZTFGLVUHND-UHFFFAOYSA-N
XLogP-0.79
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one (CID 60653006) is 2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one is COCC1=NN(CCO)C(=O)C1.
What is the InChIKey of 2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one?
The InChIKey is GFWKZTFGLVUHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-12-5-6-4-7(11)9(8-6)2-3-10/h10H,2-5H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one?
2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one has a molecular weight of 172.18 g/mol, XLogP of -0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-5-(methoxymethyl)-4H-pyrazol-3-one is sourced from PubChem (CID 60653006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).