3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid

C11H11F3N4O2 — CID 69174759

IUPAC3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid
SMILESCC1=CC(C)(C(=O)O)NN1c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C11H11F3N4O2/c1-6-5-10(2,9(19)20)17-18(6)8-4-3-7(15-16-8)11(12,13)14/h3-5,17H,1-2H3,(H,19,20)
InChIKeyKSFRBCBUNIAVOM-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.57
Rot. Bonds2

About 3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid

3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid (PubChem CID 69174759) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid
PubChem CID69174759
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid
SMILESCC1=CC(C)(C(=O)O)NN1c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C11H11F3N4O2/c1-6-5-10(2,9(19)20)17-18(6)8-4-3-7(15-16-8)11(12,13)14/h3-5,17H,1-2H3,(H,19,20)
InChIKeyKSFRBCBUNIAVOM-UHFFFAOYSA-N
XLogP1.57
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-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 3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid (CID 69174759) is 3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid is CC1=CC(C)(C(=O)O)NN1c1ccc(C(F)(F)F)nn1.
What is the InChIKey of 3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is KSFRBCBUNIAVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-6-5-10(2,9(19)20)17-18(6)8-4-3-7(15-16-8)11(12,13)14/h3-5,17H,1-2H3,(H,19,20).
What are the key properties of 3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid?
3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 288.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[6-(trifluoromethyl)pyridazin-3-yl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 69174759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).