3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid

C14H18N4O3 — CID 81333423

IUPAC3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid
SMILESCCc1nnc(Oc2cc(C)nn2C)c(C(=O)O)c1CC
InChIInChI=1S/C14H18N4O3/c1-5-9-10(6-2)15-16-13(12(9)14(19)20)21-11-7-8(3)17-18(11)4/h7H,5-6H2,1-4H3,(H,19,20)
InChIKeyHFZFRLXITYLVAW-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.13
Rot. Bonds5

About 3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid

3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid (PubChem CID 81333423) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid
PubChem CID81333423
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid
SMILESCCc1nnc(Oc2cc(C)nn2C)c(C(=O)O)c1CC
InChIInChI=1S/C14H18N4O3/c1-5-9-10(6-2)15-16-13(12(9)14(19)20)21-11-7-8(3)17-18(11)4/h7H,5-6H2,1-4H3,(H,19,20)
InChIKeyHFZFRLXITYLVAW-UHFFFAOYSA-N
XLogP2.13
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid (CID 81333423) is 3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid is CCc1nnc(Oc2cc(C)nn2C)c(C(=O)O)c1CC.
What is the InChIKey of 3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid?
The InChIKey is HFZFRLXITYLVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-5-9-10(6-2)15-16-13(12(9)14(19)20)21-11-7-8(3)17-18(11)4/h7H,5-6H2,1-4H3,(H,19,20).
What are the key properties of 3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid?
3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrazol-3-yl)oxy-5,6-diethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 81333423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).