1,4-dimethylpyrazole-3,5-dicarboxylic acid

C7H8N2O4 — CID 68525723

IUPAC1,4-dimethylpyrazole-3,5-dicarboxylic acid
SMILESCc1c(C(=O)O)nn(C)c1C(=O)O
InChIInChI=1S/C7H8N2O4/c1-3-4(6(10)11)8-9(2)5(3)7(12)13/h1-2H3,(H,10,11)(H,12,13)
InChIKeyBXPOLMXTJQXRFL-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.12
Rot. Bonds2

About 1,4-dimethylpyrazole-3,5-dicarboxylic acid

1,4-dimethylpyrazole-3,5-dicarboxylic acid (PubChem CID 68525723) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 1,4-dimethylpyrazole-3,5-dicarboxylic acid.

Molecular Properties

Compound Name1,4-dimethylpyrazole-3,5-dicarboxylic acid
PubChem CID68525723
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name1,4-dimethylpyrazole-3,5-dicarboxylic acid
SMILESCc1c(C(=O)O)nn(C)c1C(=O)O
InChIInChI=1S/C7H8N2O4/c1-3-4(6(10)11)8-9(2)5(3)7(12)13/h1-2H3,(H,10,11)(H,12,13)
InChIKeyBXPOLMXTJQXRFL-UHFFFAOYSA-N
XLogP0.12
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,4-dimethylpyrazole-3,5-dicarboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrazole-3,5-dicarboxylic acid?
The IUPAC name of 1,4-dimethylpyrazole-3,5-dicarboxylic acid (CID 68525723) is 1,4-dimethylpyrazole-3,5-dicarboxylic acid.
What is the SMILES notation for 1,4-dimethylpyrazole-3,5-dicarboxylic acid?
The canonical SMILES for 1,4-dimethylpyrazole-3,5-dicarboxylic acid is Cc1c(C(=O)O)nn(C)c1C(=O)O.
What is the InChIKey of 1,4-dimethylpyrazole-3,5-dicarboxylic acid?
The InChIKey is BXPOLMXTJQXRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-3-4(6(10)11)8-9(2)5(3)7(12)13/h1-2H3,(H,10,11)(H,12,13).
What are the key properties of 1,4-dimethylpyrazole-3,5-dicarboxylic acid?
1,4-dimethylpyrazole-3,5-dicarboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrazole-3,5-dicarboxylic acid is sourced from PubChem (CID 68525723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).