2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid

C11H10N2O4 — CID 66920137

IUPAC2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
SMILESCOc1cccc(-n2[nH]c(C(=O)O)cc2=O)c1
InChIInChI=1S/C11H10N2O4/c1-17-8-4-2-3-7(5-8)13-10(14)6-9(12-13)11(15)16/h2-6,12H,1H3,(H,15,16)
InChIKeyWEIPJVFVHLGFJG-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.87
Rot. Bonds3

About 2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid

2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid (PubChem CID 66920137) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
PubChem CID66920137
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
SMILESCOc1cccc(-n2[nH]c(C(=O)O)cc2=O)c1
InChIInChI=1S/C11H10N2O4/c1-17-8-4-2-3-7(5-8)13-10(14)6-9(12-13)11(15)16/h2-6,12H,1H3,(H,15,16)
InChIKeyWEIPJVFVHLGFJG-UHFFFAOYSA-N
XLogP0.87
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 45490071
2-(3,4-dimethoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 99988258
2-(3-methoxyphenyl)-5-methyl-1H-pyrazol-3-one
CID 54414073
1-(3-methoxyphenyl)-5-oxo-2H-triazole-4-carboxylic acid
CID 23008892
5-ethyl-2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-4-carboxylic acid
CID 117123980
ethane;2-(3-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
CID 143937149
tert-butyl 3-oxo-2-phenyl-1H-pyrazole-5-carboxylate
CID 18922586
3-[3-hydroxy-2-(3-methoxyphenyl)-5-oxo-1H-pyrazol-4-yl]propanoic acid
CID 117123164
2-(3-methoxyphenyl)-3-phenyl-1H-1,2,4-triazol-5-one
CID 54063244
3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475750
5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
CID 751024
N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 54252922

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid (CID 66920137) is 2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid is COc1cccc(-n2[nH]c(C(=O)O)cc2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
The InChIKey is WEIPJVFVHLGFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-17-8-4-2-3-7(5-8)13-10(14)6-9(12-13)11(15)16/h2-6,12H,1H3,(H,15,16).
What are the key properties of 2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid?
2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 66920137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).