3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid

C7H11N3O2 — CID 83864166

IUPAC3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)n(C)n1
InChIInChI=1S/C7H11N3O2/c1-9(2)6-4-5(7(11)12)10(3)8-6/h4H,1-3H3,(H,11,12)
InChIKeySZQVMDJYJKUCTC-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.18
Rot. Bonds2

About 3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid

3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid (PubChem CID 83864166) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid
PubChem CID83864166
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)n(C)n1
InChIInChI=1S/C7H11N3O2/c1-9(2)6-4-5(7(11)12)10(3)8-6/h4H,1-3H3,(H,11,12)
InChIKeySZQVMDJYJKUCTC-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(dimethylamino)-1-methylpyrazole-5-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

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid (CID 83864166) is 3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid is CN(C)c1cc(C(=O)O)n(C)n1.
What is the InChIKey of 3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is SZQVMDJYJKUCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-9(2)6-4-5(7(11)12)10(3)8-6/h4H,1-3H3,(H,11,12).
What are the key properties of 3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid?
3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 83864166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).