5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid

C12H12N2O4 — CID 136998006

IUPAC5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(O)c(-c2cc(C(=O)O)nn2C)c1
InChIInChI=1S/C12H12N2O4/c1-14-10(6-9(13-14)12(16)17)8-5-7(18-2)3-4-11(8)15/h3-6,15H,1-2H3,(H,16,17)
InChIKeyHSOIXWCHFYCDSL-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.50
Rot. Bonds3

About 5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid

5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 136998006) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID136998006
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(O)c(-c2cc(C(=O)O)nn2C)c1
InChIInChI=1S/C12H12N2O4/c1-14-10(6-9(13-14)12(16)17)8-5-7(18-2)3-4-11(8)15/h3-6,15H,1-2H3,(H,16,17)
InChIKeyHSOIXWCHFYCDSL-UHFFFAOYSA-N
XLogP1.50
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid (CID 136998006) is 5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid is COc1ccc(O)c(-c2cc(C(=O)O)nn2C)c1.
What is the InChIKey of 5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is HSOIXWCHFYCDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-14-10(6-9(13-14)12(16)17)8-5-7(18-2)3-4-11(8)15/h3-6,15H,1-2H3,(H,16,17).
What are the key properties of 5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 136998006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).