6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid

C12H14N4O2 — CID 82693003

IUPAC6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid
SMILESCCc1cc(CC)n(-c2ccc(C(=O)O)nn2)n1
InChIInChI=1S/C12H14N4O2/c1-3-8-7-9(4-2)16(15-8)11-6-5-10(12(17)18)13-14-11/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyHHJOFMZFJZOHNH-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.49
Rot. Bonds4

About 6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid

6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid (PubChem CID 82693003) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid
PubChem CID82693003
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid
SMILESCCc1cc(CC)n(-c2ccc(C(=O)O)nn2)n1
InChIInChI=1S/C12H14N4O2/c1-3-8-7-9(4-2)16(15-8)11-6-5-10(12(17)18)13-14-11/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyHHJOFMZFJZOHNH-UHFFFAOYSA-N
XLogP1.49
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid (CID 82693003) is 6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid is CCc1cc(CC)n(-c2ccc(C(=O)O)nn2)n1.
What is the InChIKey of 6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid?
The InChIKey is HHJOFMZFJZOHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-8-7-9(4-2)16(15-8)11-6-5-10(12(17)18)13-14-11/h5-7H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid?
6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-diethylpyrazol-1-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 82693003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).