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

C11H12N2O2 — CID 609215

IUPAC5-(methoxymethyl)-2-phenyl-4H-pyrazol-3-one
SMILESCOCC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C11H12N2O2/c1-15-8-9-7-11(14)13(12-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyWMGGKXZLAROCKD-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.43
Rot. Bonds3

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

5-(methoxymethyl)-2-phenyl-4H-pyrazol-3-one (PubChem CID 609215) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(methoxymethyl)-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(methoxymethyl)-2-phenyl-4H-pyrazol-3-one
PubChem CID609215
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-(methoxymethyl)-2-phenyl-4H-pyrazol-3-one
SMILESCOCC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C11H12N2O2/c1-15-8-9-7-11(14)13(12-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyWMGGKXZLAROCKD-UHFFFAOYSA-N
XLogP1.43
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 5-(methoxymethyl)-2-phenyl-4H-pyrazol-3-one (CID 609215) is 5-(methoxymethyl)-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(methoxymethyl)-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 5-(methoxymethyl)-2-phenyl-4H-pyrazol-3-one is COCC1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of 5-(methoxymethyl)-2-phenyl-4H-pyrazol-3-one?
The InChIKey is WMGGKXZLAROCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-15-8-9-7-11(14)13(12-9)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3.
What are the key properties of 5-(methoxymethyl)-2-phenyl-4H-pyrazol-3-one?
5-(methoxymethyl)-2-phenyl-4H-pyrazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 609215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).