5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid

C12H13N3O4 — CID 82365358

IUPAC5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2ncc(C(=O)O)c2N)c(OC)c1
InChIInChI=1S/C12H13N3O4/c1-18-7-3-4-9(10(5-7)19-2)15-11(13)8(6-14-15)12(16)17/h3-6H,13H2,1-2H3,(H,16,17)
InChIKeyHMAQSEHSRFJUJT-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.17
Rot. Bonds4

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

5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid (PubChem CID 82365358) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid
PubChem CID82365358
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid
SMILESCOc1ccc(-n2ncc(C(=O)O)c2N)c(OC)c1
InChIInChI=1S/C12H13N3O4/c1-18-7-3-4-9(10(5-7)19-2)15-11(13)8(6-14-15)12(16)17/h3-6H,13H2,1-2H3,(H,16,17)
InChIKeyHMAQSEHSRFJUJT-UHFFFAOYSA-N
XLogP1.17
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-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-amino-1-(2-hydroxy-4-methylphenyl)pyrazole-4-carboxylic acid
CID 82365343
5-amino-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365357
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82302598
CID 171375610
CID 171375610
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
5-[(2,4-dimethoxyanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630563
1-(2,4-dimethoxyphenyl)imidazole-4-carboxylic acid
CID 82480116
5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 63173747
1-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carbothioamide
CID 82527837
1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid
CID 82302613

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid (CID 82365358) is 5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid is COc1ccc(-n2ncc(C(=O)O)c2N)c(OC)c1.
What is the InChIKey of 5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid?
The InChIKey is HMAQSEHSRFJUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-18-7-3-4-9(10(5-7)19-2)15-11(13)8(6-14-15)12(16)17/h3-6H,13H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid?
5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,4-dimethoxyphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82365358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).