3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid

C11H10N2O5 — CID 137000087

IUPAC3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2[nH]c(=O)c(C(=O)O)c2O)cc1
InChIInChI=1S/C11H10N2O5/c1-18-7-4-2-6(3-5-7)13-10(15)8(11(16)17)9(14)12-13/h2-5,15H,1H3,(H,12,14)(H,16,17)
InChIKeyIBNQJNHBWPXEJW-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.58
Rot. Bonds3

About 3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid

3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid (PubChem CID 137000087) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid
PubChem CID137000087
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2[nH]c(=O)c(C(=O)O)c2O)cc1
InChIInChI=1S/C11H10N2O5/c1-18-7-4-2-6(3-5-7)13-10(15)8(11(16)17)9(14)12-13/h2-5,15H,1H3,(H,12,14)(H,16,17)
InChIKeyIBNQJNHBWPXEJW-UHFFFAOYSA-N
XLogP0.58
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 45490071
2-(3-bromophenyl)-3-hydroxy-5-oxo-1H-pyrazole-4-carboxylic acid
CID 137000062
4-[(4-methoxyphenyl)-(3-methyl-5-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-3-methyl-2-phenyl-1H-pyrazol-5-one
CID 95170126
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
3-[3-hydroxy-2-(3-methoxyphenyl)-5-oxo-1H-pyrazol-4-yl]propanoic acid
CID 117123164
3-hydroxy-5-oxo-2-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid
CID 137000028
2-(4-methoxyphenyl)-4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenyl-1H-pyrazol-3-one
CID 135728634
2,5-bis(4-methoxyphenyl)-1H-pyrazol-3-one
CID 5311780
3-(dihydroxymethylidene)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 86326055
2-(4-methoxyphenyl)-3-oxo-5,6,7,8-tetrahydrocinnoline-4-carboxylic acid
CID 82036493
3-(4-methoxyphenyl)-4-oxothiadiazolidine-5-carboxylic acid
CID 82372046
4-(4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 82089759

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid (CID 137000087) is 3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid is COc1ccc(-n2[nH]c(=O)c(C(=O)O)c2O)cc1.
What is the InChIKey of 3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid?
The InChIKey is IBNQJNHBWPXEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-18-7-4-2-6(3-5-7)13-10(15)8(11(16)17)9(14)12-13/h2-5,15H,1H3,(H,12,14)(H,16,17).
What are the key properties of 3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid?
3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 137000087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).