2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid

C10H10N4O3 — CID 103293767

IUPAC2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid
SMILESCC1=NN(c2cccnn2)C(=O)C1CC(=O)O
InChIInChI=1S/C10H10N4O3/c1-6-7(5-9(15)16)10(17)14(13-6)8-3-2-4-11-12-8/h2-4,7H,5H2,1H3,(H,15,16)
InChIKeyJIHOJGNLNDKLMP-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.29
Rot. Bonds3

About 2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid

2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid (PubChem CID 103293767) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid
PubChem CID103293767
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid
SMILESCC1=NN(c2cccnn2)C(=O)C1CC(=O)O
InChIInChI=1S/C10H10N4O3/c1-6-7(5-9(15)16)10(17)14(13-6)8-3-2-4-11-12-8/h2-4,7H,5H2,1H3,(H,15,16)
InChIKeyJIHOJGNLNDKLMP-UHFFFAOYSA-N
XLogP0.29
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid (CID 103293767) is 2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid is CC1=NN(c2cccnn2)C(=O)C1CC(=O)O.
What is the InChIKey of 2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid?
The InChIKey is JIHOJGNLNDKLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-6-7(5-9(15)16)10(17)14(13-6)8-3-2-4-11-12-8/h2-4,7H,5H2,1H3,(H,15,16).
What are the key properties of 2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid?
2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid has a molecular weight of 234.22 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-oxo-1-pyridazin-3-yl-4H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 103293767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).