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

C12H12N2O4 — CID 136998005

IUPAC5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)nn2C)c1O
InChIInChI=1S/C12H12N2O4/c1-14-9(6-8(13-14)12(16)17)7-4-3-5-10(18-2)11(7)15/h3-6,15H,1-2H3,(H,16,17)
InChIKeyYTEQFXKCZUCOMQ-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.50
Rot. Bonds3

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

5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid (PubChem CID 136998005) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
PubChem CID136998005
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
SMILESCOc1cccc(-c2cc(C(=O)O)nn2C)c1O
InChIInChI=1S/C12H12N2O4/c1-14-9(6-8(13-14)12(16)17)7-4-3-5-10(18-2)11(7)15/h3-6,15H,1-2H3,(H,16,17)
InChIKeyYTEQFXKCZUCOMQ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-hydroxy-3,4-dimethoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136932005
5-(2-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-1-methylpyrazole-3-carboxylic acid
CID 135547041
5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 68642030
5-(6-bromo-2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136995194
1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128496
5-(2-methoxy-3-methylsulfonylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117495273
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117469018
5-[2-hydroxy-3-methoxy-4-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 136995053
5-(2-hydroxy-5-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998006
5-(2-chloro-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117380089
5-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxylic acid
CID 117487199

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid (CID 136998005) is 5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid is COc1cccc(-c2cc(C(=O)O)nn2C)c1O.
What is the InChIKey of 5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
The InChIKey is YTEQFXKCZUCOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-14-9(6-8(13-14)12(16)17)7-4-3-5-10(18-2)11(7)15/h3-6,15H,1-2H3,(H,16,17).
What are the key properties of 5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid?
5-(2-hydroxy-3-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-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 136998005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).