5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid

C13H14N2O4 — CID 82302598

IUPAC5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)cnn2C)c(OC)c1
InChIInChI=1S/C13H14N2O4/c1-15-12(10(7-14-15)13(16)17)9-5-4-8(18-2)6-11(9)19-3/h4-7H,1-3H3,(H,16,17)
InChIKeyGGMYTCVKMJXDCT-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.80
Rot. Bonds4

About 5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid

5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 82302598) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID82302598
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)cnn2C)c(OC)c1
InChIInChI=1S/C13H14N2O4/c1-15-12(10(7-14-15)13(16)17)9-5-4-8(18-2)6-11(9)19-3/h4-7H,1-3H3,(H,16,17)
InChIKeyGGMYTCVKMJXDCT-UHFFFAOYSA-N
XLogP1.80
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82301586
2-(1,5-dimethylpyrazol-4-yl)-5-methoxybenzoic acid
CID 66098475
5-[(2,4-dimethoxyanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630563
5-(5-methoxy-2-methyl-1H-indol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986331
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
5-(2,4-dimethoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049476
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 53223746
5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid
CID 82365358
3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carboxylic acid
CID 61266679
3-(2,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 82296819

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid (CID 82302598) is 5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid is COc1ccc(-c2c(C(=O)O)cnn2C)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is GGMYTCVKMJXDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-15-12(10(7-14-15)13(16)17)9-5-4-8(18-2)6-11(9)19-3/h4-7H,1-3H3,(H,16,17).
What are the key properties of 5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid?
5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82302598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).