5-methoxy-2-phenyl-4H-pyrazol-3-one

C10H10N2O2 — CID 15786843

IUPAC5-methoxy-2-phenyl-4H-pyrazol-3-one
SMILESCOC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C10H10N2O2/c1-14-9-7-10(13)12(11-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyULJHXHPVVHFDSJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.38
Rot. Bonds1

About 5-methoxy-2-phenyl-4H-pyrazol-3-one

5-methoxy-2-phenyl-4H-pyrazol-3-one (PubChem CID 15786843) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-methoxy-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-methoxy-2-phenyl-4H-pyrazol-3-one
PubChem CID15786843
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name5-methoxy-2-phenyl-4H-pyrazol-3-one
SMILESCOC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C10H10N2O2/c1-14-9-7-10(13)12(11-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyULJHXHPVVHFDSJ-UHFFFAOYSA-N
XLogP1.38
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 5-methoxy-2-phenyl-4H-pyrazol-3-one (CID 15786843) is 5-methoxy-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-methoxy-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 5-methoxy-2-phenyl-4H-pyrazol-3-one is COC1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of 5-methoxy-2-phenyl-4H-pyrazol-3-one?
The InChIKey is ULJHXHPVVHFDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-9-7-10(13)12(11-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 5-methoxy-2-phenyl-4H-pyrazol-3-one?
5-methoxy-2-phenyl-4H-pyrazol-3-one has a molecular weight of 190.20 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 15786843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).