1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid

C11H10N2O4 — CID 70625233

IUPAC1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid
SMILESCOn1c(=O)cc(C(=O)O)n1-c1ccccc1
InChIInChI=1S/C11H10N2O4/c1-17-13-10(14)7-9(11(15)16)12(13)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16)
InChIKeyVTNMOHYIHQICML-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.40
Rot. Bonds3

About 1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid

1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid (PubChem CID 70625233) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid
PubChem CID70625233
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid
SMILESCOn1c(=O)cc(C(=O)O)n1-c1ccccc1
InChIInChI=1S/C11H10N2O4/c1-17-13-10(14)7-9(11(15)16)12(13)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16)
InChIKeyVTNMOHYIHQICML-UHFFFAOYSA-N
XLogP0.40
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid (CID 70625233) is 1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid is COn1c(=O)cc(C(=O)O)n1-c1ccccc1.
What is the InChIKey of 1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid?
The InChIKey is VTNMOHYIHQICML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-17-13-10(14)7-9(11(15)16)12(13)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16).
What are the key properties of 1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid?
1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-oxo-2-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 70625233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).