5-methoxy-2-phenyl-1H-pyrazol-3-one

C10H10N2O2 — CID 126736456

IUPAC5-methoxy-2-phenyl-1H-pyrazol-3-one
SMILESCOc1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C10H10N2O2/c1-14-9-7-10(13)12(11-9)8-5-3-2-4-6-8/h2-7,11H,1H3
InChIKeyXTKXHYBMXHUVQG-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.17
Rot. Bonds2

About 5-methoxy-2-phenyl-1H-pyrazol-3-one

5-methoxy-2-phenyl-1H-pyrazol-3-one (PubChem CID 126736456) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-methoxy-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methoxy-2-phenyl-1H-pyrazol-3-one
PubChem CID126736456
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name5-methoxy-2-phenyl-1H-pyrazol-3-one
SMILESCOc1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C10H10N2O2/c1-14-9-7-10(13)12(11-9)8-5-3-2-4-6-8/h2-7,11H,1H3
InChIKeyXTKXHYBMXHUVQG-UHFFFAOYSA-N
XLogP1.17
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-methoxy-2-phenyl-1H-pyrazol-3-one (CID 126736456) is 5-methoxy-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-methoxy-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-methoxy-2-phenyl-1H-pyrazol-3-one is COc1cc(=O)n(-c2ccccc2)[nH]1.
What is the InChIKey of 5-methoxy-2-phenyl-1H-pyrazol-3-one?
The InChIKey is XTKXHYBMXHUVQG-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/h2-7,11H,1H3.
What are the key properties of 5-methoxy-2-phenyl-1H-pyrazol-3-one?
5-methoxy-2-phenyl-1H-pyrazol-3-one has a molecular weight of 190.20 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 126736456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).